CAS 42137-88-2|N,N-bis(2-chloroethyl)-4-methylbenzene-1-sulfonamide|N-N-bis(β-CHLOROETHYL)-p-TOLUENESULFONAMIDE|N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide|N,N-Bis(2-chloroethyl)-p-toluen...

General Information

Structure

Molecular Formula

C₁₁H₁₅Cl₂NO₂S

Molecular Mass

296.2133

Exact Mass

295.02005509

Charge

InChI

InChI=1S/C11H15Cl2NO2S/c1-10-2-4-11(5-3-10)17(15,16)14(8-6-12)9-7-13/h2-5H,6-9H2,1H3

InChIKey

PTVBBIMKLOMGSY-UHFFFAOYSA-N

Canonic Smiles

ClCCN(S(=O)(=O)c1ccc(cc1)C)CCCl

Isomeric Smiles

Cc1ccc(cc1)S(=O)(=O)N(CCCl)CCCl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.8690298

LogD (pH = 7.4)

2.8690298

Log P

2.8690298

Molar Refractivity

71.7371

Polarizability

28.451939

Polar Surface Area

37.38

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

N-N-bis(β-CHLOROETHYL)-p-TOLUENESULFONAMIDEN,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamideN,N-Bis(2-chloroethyl)-p-toluenesulfonamide, Technical Grade 90%NSC 49364N,N-Bis(2-chloroethyl)-4-methylbenzenesulfonamideN,N-Bis(2-chloroethyl)-p-toluenesulfonamideN,N-对(2-氯乙基)-p-甲苯磺酰甲胺

IUPAC name

N,N-bis(2-chloroethyl)-4-methylbenzene-1-sulfonamide

IUPAC Traditional name

N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide

Names and Identifiers

Registration numbers

CAS Number

42137-88-2

PubChem CID

96039

PubChem SID

162087227