4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

C23H28ClN3O4S — CID 73402238

IUPAC4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H28ClN3O4S/c1-16(22(28)27-20-7-5-6-19(24)14-20)26-23(29)18-12-10-17(11-13-18)15-25-32(30,31)21-8-3-2-4-9-21/h2-9,14,16-18,25H,10-13,15H2,1H3,(H,26,29)(H,27,28)
InChIKeySUKUFHCKFSNCDR-UHFFFAOYSA-N
MW478.01 g/mol
LogP3.57
Rot. Bonds8

About 4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 73402238) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
PubChem CID73402238
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H28ClN3O4S/c1-16(22(28)27-20-7-5-6-19(24)14-20)26-23(29)18-12-10-17(11-13-18)15-25-32(30,31)21-8-3-2-4-9-21/h2-9,14,16-18,25H,10-13,15H2,1H3,(H,26,29)(H,27,28)
InChIKeySUKUFHCKFSNCDR-UHFFFAOYSA-N
XLogP3.57
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamidomethyl)-N-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649627
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4-(benzenesulfonamidomethyl)-N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
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4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 11327244
4-(benzenesulfonamidomethyl)-N-[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 51829674
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 97263064
4-(benzenesulfonamidomethyl)-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 45371248
4-(benzenesulfonamidomethyl)-N-[(2S)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]cyclohexane-1-carboxamide
CID 41111646
3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617470
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 124649798
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 71710458
N-[(2R)-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (CID 73402238) is 4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is SUKUFHCKFSNCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-16(22(28)27-20-7-5-6-19(24)14-20)26-23(29)18-12-10-17(11-13-18)15-25-32(30,31)21-8-3-2-4-9-21/h2-9,14,16-18,25H,10-13,15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 478.01 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-[1-(3-chloroanilino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 73402238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).