N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide

C21H24ClN3O5S — CID 1117367

IUPACN-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CCCCC2)cc1
InChIInChI=1S/C21H24ClN3O5S/c1-15-7-10-18(11-8-15)31(29,30)24(17-5-3-2-4-6-17)14-21(26)23-16-9-12-19(22)20(13-16)25(27)28/h7-13,17H,2-6,14H2,1H3,(H,23,26)
InChIKeyVXTNTWYJIYNNFX-UHFFFAOYSA-N
MW465.96 g/mol
LogP4.52
Rot. Bonds7

About N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide

N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 1117367) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID1117367
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CCCCC2)cc1
InChIInChI=1S/C21H24ClN3O5S/c1-15-7-10-18(11-8-15)31(29,30)24(17-5-3-2-4-6-17)14-21(26)23-16-9-12-19(22)20(13-16)25(27)28/h7-13,17H,2-6,14H2,1H3,(H,23,26)
InChIKeyVXTNTWYJIYNNFX-UHFFFAOYSA-N
XLogP4.52
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 54.52
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-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide 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

2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
2-[(2,4-dichlorophenyl)(phenylsulfonyl)amino]-N-(phenylethyl)acetamide
CID 2851193
N~2~-[(4-methylphenyl)sulfonyl]-N~1~-(3-nitrophenyl)glycinamide
CID 893116
hydroxamate deriv. B14
CID 23645800
hydroxamate deriv. B18
CID 23645804
2-[Benzenesulfonyl-(3-nitro-phenyl)-amino]-N-(4-methyl-benzyl)-acetamide
CID 1016301
N-(2,4-Dichlorophenyl)-2-[N-(2-methylphenyl)4-methylbenzenesulfonamido]acetamide
CID 1248751
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-cyclohexyl-N~1~-(2-methyl-5-nitrophenyl)glycinamide
CID 1294874
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
CID 1337443
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-(2-methylbenzyl)-N~1~-(3-nitrophenyl)glycinamide
CID 2192796
N~2~-(3,4-dichlorophenyl)-N~1~-{3-[methyl(methylsulfonyl)amino]phenyl}-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 2233458
2-(4-chloro-N-(4-chloro-3-nitrophenyl)sulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 3377168

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide (CID 1117367) is N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CCCCC2)cc1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is VXTNTWYJIYNNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c1-15-7-10-18(11-8-15)31(29,30)24(17-5-3-2-4-6-17)14-21(26)23-16-9-12-19(22)20(13-16)25(27)28/h7-13,17H,2-6,14H2,1H3,(H,23,26).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 465.96 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 1117367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).