2-(4-chloroanilino)ethanesulfonamide

C8H11ClN2O2S — CID 114384668

IUPAC2-(4-chloroanilino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C8H11ClN2O2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2,(H2,10,12,13)
InChIKeyGKHOEJQKFJYPEQ-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.04
Rot. Bonds4

About 2-(4-chloroanilino)ethanesulfonamide

2-(4-chloroanilino)ethanesulfonamide (PubChem CID 114384668) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 2-(4-chloroanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-chloroanilino)ethanesulfonamide
PubChem CID114384668
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name2-(4-chloroanilino)ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ccc(Cl)cc1
InChIInChI=1S/C8H11ClN2O2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2,(H2,10,12,13)
InChIKeyGKHOEJQKFJYPEQ-UHFFFAOYSA-N
XLogP1.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)ethanesulfonamide
CID 114384672
2-(3-chloro-4-methylanilino)ethanesulfonamide
CID 114384702
4-chloro-N-(2-propylsulfonylethyl)aniline
CID 106513312
4-(2-sulfamoylethylamino)benzenecarbothioamide
CID 43552530
2-(4-phenoxyanilino)ethanesulfonamide
CID 114384719
2-(2-bromo-4-chloroanilino)ethanesulfonamide
CID 114385115
2-(4-propoxyanilino)ethanesulfonamide
CID 114384994
4-chloro-N-[2-(3-methoxypropylsulfonyl)ethyl]aniline
CID 106513408
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 54888381
2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
CID 43635604
2-(1-benzothiophen-5-ylamino)ethanesulfonamide
CID 114385062

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)ethanesulfonamide?
The IUPAC name of 2-(4-chloroanilino)ethanesulfonamide (CID 114384668) is 2-(4-chloroanilino)ethanesulfonamide.
What is the SMILES notation for 2-(4-chloroanilino)ethanesulfonamide?
The canonical SMILES for 2-(4-chloroanilino)ethanesulfonamide is NS(=O)(=O)CCNc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)ethanesulfonamide?
The InChIKey is GKHOEJQKFJYPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c9-7-1-3-8(4-2-7)11-5-6-14(10,12)13/h1-4,11H,5-6H2,(H2,10,12,13).
What are the key properties of 2-(4-chloroanilino)ethanesulfonamide?
2-(4-chloroanilino)ethanesulfonamide has a molecular weight of 234.71 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)ethanesulfonamide is sourced from PubChem (CID 114384668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).