2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide

C12H10ClNO3S2 — CID 75508948

IUPAC2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C12H10ClNO3S2/c13-9-4-1-2-6-12(9)19(16,17)14-8-10(15)11-5-3-7-18-11/h1-7,14H,8H2
InChIKeyAPPACXRUMYTRMQ-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.56
Rot. Bonds5

About 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide

2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 75508948) has the molecular formula C12H10ClNO3S2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID75508948
Molecular FormulaC12H10ClNO3S2
Molecular Weight315.80 g/mol
Exact Mass314.98
IUPAC Name2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C12H10ClNO3S2/c13-9-4-1-2-6-12(9)19(16,17)14-8-10(15)11-5-3-7-18-11/h1-7,14H,8H2
InChIKeyAPPACXRUMYTRMQ-UHFFFAOYSA-N
XLogP2.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone
CID 64643112
N-butan-2-yl-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112990861
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 75357568
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 110285339
2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662811
(2-methylphenyl) 2-[(2-chlorophenyl)sulfonylamino]acetate
CID 110670356
2-chloro-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]benzenesulfonamide
CID 126850420
2-[(2-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254498
2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide (CID 75508948) is 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is APPACXRUMYTRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S2/c13-9-4-1-2-6-12(9)19(16,17)14-8-10(15)11-5-3-7-18-11/h1-7,14H,8H2.
What are the key properties of 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide?
2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 315.80 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 75508948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).