2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide

C17H17ClN2O3S — CID 95101432

IUPAC2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)N[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H17ClN2O3S/c1-12-6-5-9-14(18)16(12)24(22,23)19-15-10-11-20(17(15)21)13-7-3-2-4-8-13/h2-9,15,19H,10-11H2,1H3/t15-/m0/s1
InChIKeyDQGFISZAIZWXIR-HNNXBMFYSA-N
MW364.85 g/mol
LogP2.73
Rot. Bonds4

About 2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide

2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide (PubChem CID 95101432) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
PubChem CID95101432
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)N[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H17ClN2O3S/c1-12-6-5-9-14(18)16(12)24(22,23)19-15-10-11-20(17(15)21)13-7-3-2-4-8-13/h2-9,15,19H,10-11H2,1H3/t15-/m0/s1
InChIKeyDQGFISZAIZWXIR-HNNXBMFYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide
CID 71838586
2-chloro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255094
2-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 71838669
3-bromo-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95101436
2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255063
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
CID 53166772
2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 126796000
4-[3-[(2-chloro-6-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159592830
2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 71835736
2-chloro-N,6-dimethylbenzenesulfonamide
CID 58436447
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838569

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide (CID 95101432) is 2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide is Cc1cccc(Cl)c1S(=O)(=O)N[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of 2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is DQGFISZAIZWXIR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-12-6-5-9-14(18)16(12)24(22,23)19-15-10-11-20(17(15)21)13-7-3-2-4-8-13/h2-9,15,19H,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide?
2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95101432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).