N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide

C15H13ClN2O5S — CID 101440796

IUPACN-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide
SMILESCC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O5S/c1-10(19)15(11-2-4-12(16)5-3-11)17-24(22,23)14-8-6-13(7-9-14)18(20)21/h2-9,15,17H,1H3/t15-/m0/s1
InChIKeyPGDFEJFXCQSNPV-HNNXBMFYSA-N
MW368.80 g/mol
LogP2.86
Rot. Bonds6

About N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide

N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide (PubChem CID 101440796) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide
PubChem CID101440796
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC NameN-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide
SMILESCC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O5S/c1-10(19)15(11-2-4-12(16)5-3-11)17-24(22,23)14-8-6-13(7-9-14)18(20)21/h2-9,15,17H,1H3/t15-/m0/s1
InChIKeyPGDFEJFXCQSNPV-HNNXBMFYSA-N
XLogP2.86
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-5-(4-chlorophenyl)-1-(4-nitrophenyl)-3-oxopent-4-enyl]-4-methylbenzenesulfonamide
CID 45379252
methyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-(4-nitrophenyl)methyl]prop-2-enoate
CID 11211463
N-[(1R)-1-(4-chlorophenyl)-2-methylidene-3-oxobutyl]benzenesulfonamide
CID 102434392
4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide
CID 7312884
1-(4-chlorophenyl)-1-(methylamino)propan-2-one
CID 116955808
(2S)-3,3-dimethyl-2-[(4-nitrophenyl)sulfonylamino]butanoic acid
CID 61142393
3,3-dimethyl-2-[(4-nitrophenyl)sulfonylamino]butanoic acid
CID 43468059
CID 70381437
CID 70381437
1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 134114974
ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 24777338
N-[1-(4-methylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 19680825
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide (CID 101440796) is N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide is CC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide?
The InChIKey is PGDFEJFXCQSNPV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c1-10(19)15(11-2-4-12(16)5-3-11)17-24(22,23)14-8-6-13(7-9-14)18(20)21/h2-9,15,17H,1H3/t15-/m0/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide?
N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide has a molecular weight of 368.80 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)-2-oxopropyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 101440796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).