4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide

C16H15ClN2O4S — CID 129065761

IUPAC4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
SMILESO=C1OCC[C@@H]1NS(=O)(=O)c1ccc(Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClN2O4S/c17-11-2-1-3-13(10-11)18-12-4-6-14(7-5-12)24(21,22)19-15-8-9-23-16(15)20/h1-7,10,15,18-19H,8-9H2/t15-/m0/s1
InChIKeyNKDXQARJFKHMAR-HNNXBMFYSA-N
MW366.83 g/mol
LogP2.68
Rot. Bonds5

About 4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide

4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide (PubChem CID 129065761) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
PubChem CID129065761
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
SMILESO=C1OCC[C@@H]1NS(=O)(=O)c1ccc(Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClN2O4S/c17-11-2-1-3-13(10-11)18-12-4-6-14(7-5-12)24(21,22)19-15-8-9-23-16(15)20/h1-7,10,15,18-19H,8-9H2/t15-/m0/s1
InChIKeyNKDXQARJFKHMAR-HNNXBMFYSA-N
XLogP2.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 135183680
4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 43822806
2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide
CID 135149146
4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 29288988
2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318477
3-[(2-oxooxolan-3-yl)sulfamoyl]benzenecarbothioamide
CID 43822814
4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide
CID 126737148
5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 126756539
4-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 126756514
N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]heptanamide
CID 78318340
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide
CID 108783097
4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318533

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide (CID 129065761) is 4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide is O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
The InChIKey is NKDXQARJFKHMAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c17-11-2-1-3-13(10-11)18-12-4-6-14(7-5-12)24(21,22)19-15-8-9-23-16(15)20/h1-7,10,15,18-19H,8-9H2/t15-/m0/s1.
What are the key properties of 4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide has a molecular weight of 366.83 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 129065761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).