2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide

C21H24ClN3O5S — CID 1294874

IUPAC2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O5S/c1-15-7-10-18(25(27)28)13-20(15)23-21(26)14-24(17-5-3-2-4-6-17)31(29,30)19-11-8-16(22)9-12-19/h7-13,17H,2-6,14H2,1H3,(H,23,26)
InChIKeyUMTWOUHGGPPFJJ-UHFFFAOYSA-N
MW465.96 g/mol
LogP4.52
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 1294874) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID1294874
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O5S/c1-15-7-10-18(25(27)28)13-20(15)23-21(26)14-24(17-5-3-2-4-6-17)31(29,30)19-11-8-16(22)9-12-19/h7-13,17H,2-6,14H2,1H3,(H,23,26)
InChIKeyUMTWOUHGGPPFJJ-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'}

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Related Compounds

2-[[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxyacetamide
CID 10507755
hydroxamate deriv. B14
CID 23645800
hydroxamate deriv. B18
CID 23645804
2-[Benzenesulfonyl-(3-nitro-phenyl)-amino]-N-(4-methyl-benzyl)-acetamide
CID 1016301
N-(4-Chloro-3-nitro-phenyl)-2-[cyclohexyl-(toluene-4-sulfonyl)-amino]-acetamide
CID 1117367
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
CID 1337443
N-(3-chloro-2-methylphenyl)-2-(N-p-tolylphenylsulfonamido)acetamide
CID 1368921
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-(2-methylbenzyl)-N~1~-(3-nitrophenyl)glycinamide
CID 2192796
N~2~-(2-methyl-5-nitrophenyl)-N~2~-(methylsulfonyl)-N~1~-[4-({[3-(trifluoromethyl)phenyl]amino}sulfonyl)phenyl]glycinamide
CID 2948873
2-(N-(4-chloro-3-nitrophenyl)sulfonyl-2,4-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 3973468
2-(4-chloro-N-(2-chloro-5-nitrophenyl)sulfonylanilino)-N-(4-methylphenyl)acetamide
CID 4020961
2-(4-chloro-N-(2-chloro-5-nitrophenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 4039390

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide (CID 1294874) is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is UMTWOUHGGPPFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c1-15-7-10-18(25(27)28)13-20(15)23-21(26)14-24(17-5-3-2-4-6-17)31(29,30)19-11-8-16(22)9-12-19/h7-13,17H,2-6,14H2,1H3,(H,23,26).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)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 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 1294874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).