N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide

C17H17ClN2O4S — CID 7564849

IUPACN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-24-15-6-8-16(9-7-15)25(22,23)19-13-10-17(21)20(11-13)14-4-2-12(18)3-5-14/h2-9,13,19H,10-11H2,1H3/t13-/m1/s1
InChIKeyWIVXPSYEBWWFMA-CYBMUJFWSA-N
MW380.85 g/mol
LogP2.43
Rot. Bonds5

About N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide

N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 7564849) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
PubChem CID7564849
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-24-15-6-8-16(9-7-15)25(22,23)19-13-10-17(21)20(11-13)14-4-2-12(18)3-5-14/h2-9,13,19H,10-11H2,1H3/t13-/m1/s1
InChIKeyWIVXPSYEBWWFMA-CYBMUJFWSA-N
XLogP2.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16829572
4-bromo-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 43971454
4-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564803
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 16919719
4-acetyl-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7256559
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 7564855
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 7564831
4-fluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564806
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide (CID 7564849) is N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is WIVXPSYEBWWFMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-24-15-6-8-16(9-7-15)25(22,23)19-13-10-17(21)20(11-13)14-4-2-12(18)3-5-14/h2-9,13,19H,10-11H2,1H3/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 7564849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).