3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide

C16H15BrN2O3S — CID 95101436

IUPAC3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1[C@H](NS(=O)(=O)c2cccc(Br)c2)CCN1c1ccccc1
InChIInChI=1S/C16H15BrN2O3S/c17-12-5-4-8-14(11-12)23(21,22)18-15-9-10-19(16(15)20)13-6-2-1-3-7-13/h1-8,11,15,18H,9-10H2/t15-/m1/s1
InChIKeyXPIVWLYAGPKXJW-OAHLLOKOSA-N
MW395.28 g/mol
LogP2.53
Rot. Bonds4

About 3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide

3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide (PubChem CID 95101436) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is 3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
PubChem CID95101436
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC Name3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1[C@H](NS(=O)(=O)c2cccc(Br)c2)CCN1c1ccccc1
InChIInChI=1S/C16H15BrN2O3S/c17-12-5-4-8-14(11-12)23(21,22)18-15-9-10-19(16(15)20)13-6-2-1-3-7-13/h1-8,11,15,18H,9-10H2/t15-/m1/s1
InChIKeyXPIVWLYAGPKXJW-OAHLLOKOSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 95101484
2-chloro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255094
2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255063
2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 71838669
2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95101432
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 95101488
2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 71835736
3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 94798825
4-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]benzenesulfonamide
CID 164619903
(3S)-4-(benzenesulfonyl)-1-(3-bromophenyl)-3-methylpiperazin-2-one
CID 93322852
N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
CID 62314743
3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838569

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide (CID 95101436) is 3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide is O=C1[C@H](NS(=O)(=O)c2cccc(Br)c2)CCN1c1ccccc1.
What is the InChIKey of 3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is XPIVWLYAGPKXJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/c17-12-5-4-8-14(11-12)23(21,22)18-15-9-10-19(16(15)20)13-6-2-1-3-7-13/h1-8,11,15,18H,9-10H2/t15-/m1/s1.
What are the key properties of 3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 395.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95101436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).