N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

C20H17ClN2O3S — CID 7564855

IUPACN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C1C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3S/c21-16-6-8-18(9-7-16)23-13-17(12-20(23)24)22-27(25,26)19-10-5-14-3-1-2-4-15(14)11-19/h1-11,17,22H,12-13H2/t17-/m0/s1
InChIKeyYUOFUFJFNGKEHF-KRWDZBQOSA-N
MW400.89 g/mol
LogP3.58
Rot. Bonds4

About N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 7564855) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID7564855
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C1C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3S/c21-16-6-8-18(9-7-16)23-13-17(12-20(23)24)22-27(25,26)19-10-5-14-3-1-2-4-15(14)11-19/h1-11,17,22H,12-13H2/t17-/m0/s1
InChIKeyYUOFUFJFNGKEHF-KRWDZBQOSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 7564849
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
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16829572
4-acetyl-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7256559
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
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
3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 16829562
3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564535
N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26918874

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 7564855) is N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is O=C1C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)CN1c1ccc(Cl)cc1.
What is the InChIKey of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is YUOFUFJFNGKEHF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c21-16-6-8-18(9-7-16)23-13-17(12-20(23)24)22-27(25,26)19-10-5-14-3-1-2-4-15(14)11-19/h1-11,17,22H,12-13H2/t17-/m0/s1.
What are the key properties of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 400.89 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 7564855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).