3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C17H17ClN2O3S — CID 3384883

IUPAC3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c18-14-5-3-4-13(12-14)17(21)19-15-6-8-16(9-7-15)24(22,23)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyVOPAMSGNYAYXDR-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.38
Rot. Bonds4

About 3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 3384883) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID3384883
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O3S/c18-14-5-3-4-13(12-14)17(21)19-15-6-8-16(9-7-15)24(22,23)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyVOPAMSGNYAYXDR-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 100619897
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
3-nitro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1011529
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
1-(3-chlorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 19680441
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 3384883) is 3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is VOPAMSGNYAYXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-14-5-3-4-13(12-14)17(21)19-15-6-8-16(9-7-15)24(22,23)20-10-1-2-11-20/h3-9,12H,1-2,10-11H2,(H,19,21).
What are the key properties of 3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 364.85 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3384883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).