2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide

C17H17ClN2O3S — CID 58107415

IUPAC2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc(N3CCCC3)cc2)ccc1Cl
InChIInChI=1S/C17H17ClN2O3S/c18-15-8-5-13(11-16(15)24(19,22)23)17(21)12-3-6-14(7-4-12)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H2,19,22,23)
InChIKeyGNRQRVTTZAJDJB-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.82
Rot. Bonds4

About 2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide

2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide (PubChem CID 58107415) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide
PubChem CID58107415
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc(N3CCCC3)cc2)ccc1Cl
InChIInChI=1S/C17H17ClN2O3S/c18-15-8-5-13(11-16(15)24(19,22)23)17(21)12-3-6-14(7-4-12)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H2,19,22,23)
InChIKeyGNRQRVTTZAJDJB-UHFFFAOYSA-N
XLogP2.82
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9081742
2-chloro-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 4790784
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414
2-chloro-5-(1-methylindole-5-carbonyl)benzenesulfonamide
CID 58107434
2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide
CID 58107394
2-chloro-5-[4-(3,3-dimethylbutanoyl)benzoyl]benzenesulfonamide;4-(4-chloro-3-sulfamoylbenzoyl)benzoic acid;methane;2-methylpropan-2-amine
CID 158135205
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
2-(4-chloro-3-sulfamoylbenzoyl)benzamide
CID 12850058
2-chloro-5-[4-(3-phenylpropanoyl)benzoyl]benzenesulfonamide;4-(4-chloro-3-sulfamoylbenzoyl)benzoic acid;methane
CID 162149031
2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide
CID 21316646
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone chloride
CID 53350574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide (CID 58107415) is 2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)c2ccc(N3CCCC3)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide?
The InChIKey is GNRQRVTTZAJDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-15-8-5-13(11-16(15)24(19,22)23)17(21)12-3-6-14(7-4-12)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H2,19,22,23).
What are the key properties of 2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide?
2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide is sourced from PubChem (CID 58107415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).