3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide

C16H16ClN3O5S — CID 133255321

IUPAC3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide
SMILESCS(=O)(=O)NC(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O5S/c1-26(24,25)19-15(11-5-7-12(17)8-6-11)10-16(21)18-13-3-2-4-14(9-13)20(22)23/h2-9,15,19H,10H2,1H3,(H,18,21)
InChIKeyKFJFACIRWFSFJG-UHFFFAOYSA-N
MW397.84 g/mol
LogP2.87
Rot. Bonds7

About 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide

3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide (PubChem CID 133255321) has the molecular formula C16H16ClN3O5S and a molecular weight of 397.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide
PubChem CID133255321
Molecular FormulaC16H16ClN3O5S
Molecular Weight397.84 g/mol
Exact Mass397.05
IUPAC Name3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide
SMILESCS(=O)(=O)NC(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O5S/c1-26(24,25)19-15(11-5-7-12(17)8-6-11)10-16(21)18-13-3-2-4-14(9-13)20(22)23/h2-9,15,19H,10H2,1H3,(H,18,21)
InChIKeyKFJFACIRWFSFJG-UHFFFAOYSA-N
XLogP2.87
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 52.87
H-Bond Donors ≤ 52
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 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide 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

(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783711
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783730
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
[2-(3-nitroanilino)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7133424
(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783701
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
N-(3-bromophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255156
3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 50740235
3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670764

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide (CID 133255321) is 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide is CS(=O)(=O)NC(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide?
The InChIKey is KFJFACIRWFSFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O5S/c1-26(24,25)19-15(11-5-7-12(17)8-6-11)10-16(21)18-13-3-2-4-14(9-13)20(22)23/h2-9,15,19H,10H2,1H3,(H,18,21).
What are the key properties of 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide?
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide has a molecular weight of 397.84 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 133255321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).