2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C17H16BrClN2O3S — CID 26087511

IUPAC2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C17H16BrClN2O3S/c18-16-8-7-14(25(23,24)21-9-1-2-10-21)11-15(16)17(22)20-13-5-3-12(19)4-6-13/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyPUSSCMMXADOIOB-UHFFFAOYSA-N
MW443.75 g/mol
LogP4.14
Rot. Bonds4

About 2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26087511) has the molecular formula C17H16BrClN2O3S and a molecular weight of 443.75 g/mol. Its IUPAC name is 2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26087511
Molecular FormulaC17H16BrClN2O3S
Molecular Weight443.75 g/mol
Exact Mass441.98
IUPAC Name2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br
InChIInChI=1S/C17H16BrClN2O3S/c18-16-8-7-14(25(23,24)21-9-1-2-10-21)11-15(16)17(22)20-13-5-3-12(19)4-6-13/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyPUSSCMMXADOIOB-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26694497
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
2-bromo-N-[4-(diethylamino)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087024
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211
2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26913737
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882584
2-bromo-N-(2-fluoro-5-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26881892
2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55837158

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 26087511) is 2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br.
What is the InChIKey of 2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PUSSCMMXADOIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O3S/c18-16-8-7-14(25(23,24)21-9-1-2-10-21)11-15(16)17(22)20-13-5-3-12(19)4-6-13/h3-8,11H,1-2,9-10H2,(H,20,22).
What are the key properties of 2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 443.75 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chlorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26087511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).