2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide

C12H15ClN2O4S2 — CID 104599733

IUPAC2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCS(=O)CC2)c1
InChIInChI=1S/C12H15ClN2O4S2/c13-11-2-1-9(21(14,18)19)7-10(11)12(16)15-8-3-5-20(17)6-4-8/h1-2,7-8H,3-6H2,(H,15,16)(H2,14,18,19)
InChIKeySXQKLMIUKVTWRJ-UHFFFAOYSA-N
MW350.85 g/mol
LogP0.63
Rot. Bonds3

About 2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide

2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide (PubChem CID 104599733) has the molecular formula C12H15ClN2O4S2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
PubChem CID104599733
Molecular FormulaC12H15ClN2O4S2
Molecular Weight350.85 g/mol
Exact Mass350.02
IUPAC Name2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCS(=O)CC2)c1
InChIInChI=1S/C12H15ClN2O4S2/c13-11-2-1-9(21(14,18)19)7-10(11)12(16)15-8-3-5-20(17)6-4-8/h1-2,7-8H,3-6H2,(H,15,16)(H2,14,18,19)
InChIKeySXQKLMIUKVTWRJ-UHFFFAOYSA-N
XLogP0.63
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
CID 115886717
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103
5-chloro-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347776
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
4-methyl-3-[(1-oxothian-4-yl)amino]benzenesulfonamide
CID 54981628
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2,4-dibromo-N-(1-oxothian-4-yl)benzamide
CID 104580877
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612520
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide
CID 115944312

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide (CID 104599733) is 2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCS(=O)CC2)c1.
What is the InChIKey of 2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide?
The InChIKey is SXQKLMIUKVTWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S2/c13-11-2-1-9(21(14,18)19)7-10(11)12(16)15-8-3-5-20(17)6-4-8/h1-2,7-8H,3-6H2,(H,15,16)(H2,14,18,19).
What are the key properties of 2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide?
2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide has a molecular weight of 350.85 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 104599733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).