4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide

C28H31ClN2O3S — CID 4964811

IUPAC4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H31ClN2O3S/c1-21-7-5-6-10-27(21)30-28(32)24-13-11-23(12-14-24)20-31(19-22-8-3-2-4-9-22)35(33,34)26-17-15-25(29)16-18-26/h2-4,8-9,11-18,21,27H,5-7,10,19-20H2,1H3,(H,30,32)
InChIKeyCJHJUXZRWUMRCW-UHFFFAOYSA-N
MW511.09 g/mol
LogP6.04
Rot. Bonds8

About 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide

4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide (PubChem CID 4964811) has the molecular formula C28H31ClN2O3S and a molecular weight of 511.09 g/mol. Its IUPAC name is 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
PubChem CID4964811
Molecular FormulaC28H31ClN2O3S
Molecular Weight511.09 g/mol
Exact Mass510.17
IUPAC Name4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H31ClN2O3S/c1-21-7-5-6-10-27(21)30-28(32)24-13-11-23(12-14-24)20-31(19-22-8-3-2-4-9-22)35(33,34)26-17-15-25(29)16-18-26/h2-4,8-9,11-18,21,27H,5-7,10,19-20H2,1H3,(H,30,32)
InChIKeyCJHJUXZRWUMRCW-UHFFFAOYSA-N
XLogP6.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.09
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]benzamide
CID 58128877
N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 26861330
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
N-benzyl-4-chloro-N-[[4-(3-cyclopropylpropanoyl)phenyl]methyl]benzenesulfonamide
CID 58129138
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42971231
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-(2-methylcyclohexyl)acetamide
CID 42989106
4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-cyclopropylsulfonylbenzamide
CID 58129059
N-benzyl-4-chloro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 112759604
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R,2R)-2-methylcyclohexyl]-3-phenylpropanamide
CID 92698390

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide (CID 4964811) is 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide is CC1CCCCC1NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide?
The InChIKey is CJHJUXZRWUMRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O3S/c1-21-7-5-6-10-27(21)30-28(32)24-13-11-23(12-14-24)20-31(19-22-8-3-2-4-9-22)35(33,34)26-17-15-25(29)16-18-26/h2-4,8-9,11-18,21,27H,5-7,10,19-20H2,1H3,(H,30,32).
What are the key properties of 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide?
4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide has a molecular weight of 511.09 g/mol, XLogP of 6.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 4964811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).