4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

C16H17ClN2O3S2 — CID 2675193

IUPAC4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H17ClN2O3S2/c17-14-6-5-12(16(20)18-11-13-4-3-9-23-13)10-15(14)24(21,22)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8,11H2,(H,18,20)
InChIKeyVKCKPTVJHLSEKG-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.12
Rot. Bonds5

About 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2675193) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2675193
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C16H17ClN2O3S2/c17-14-6-5-12(16(20)18-11-13-4-3-9-23-13)10-15(14)24(21,22)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8,11H2,(H,18,20)
InChIKeyVKCKPTVJHLSEKG-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide
CID 126508480
2-benzylsulfanyl-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507531
N-butyl-4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide
CID 126508306
2-benzylsulfanyl-4-chloro-N-cyclohexyl-5-sulfamoylbenzamide
CID 126508387
N-benzyl-4-chloro-2-cyclohexylsulfonyl-5-sulfamoylbenzamide
CID 126508608
N-benzyl-4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide
CID 126508758
N-benzyl-4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide
CID 126508912
2-(benzenesulfonyl)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126509299
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
4-chloro-N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-sulfamoylbenzamide
CID 16330874
4-({benzyl[(4-chlorophenyl)sulfonyl]amino}methyl)-N-(2-thienylmethyl)benzamide
CID 46891078
4-Diethylsulfamoyl-thiophene-2-carboxylic acid benzylamide
CID 647357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 2675193) is 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is VKCKPTVJHLSEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c17-14-6-5-12(16(20)18-11-13-4-3-9-23-13)10-15(14)24(21,22)19-7-1-2-8-19/h3-6,9-10H,1-2,7-8,11H2,(H,18,20).
What are the key properties of 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 384.91 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2675193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).