1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide

C22H27ClN2O3S — CID 2097919

IUPAC1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)c(C)c1
InChIInChI=1S/C22H27ClN2O3S/c1-15-13-16(2)20(17(3)14-15)24-21(26)22(11-5-4-6-12-22)25-29(27,28)19-9-7-18(23)8-10-19/h7-10,13-14,25H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeyVXBMKINAXOLKPH-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.89
Rot. Bonds5

About 1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide

1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide (PubChem CID 2097919) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
PubChem CID2097919
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)c(C)c1
InChIInChI=1S/C22H27ClN2O3S/c1-15-13-16(2)20(17(3)14-15)24-21(26)22(11-5-4-6-12-22)25-29(27,28)19-9-7-18(23)8-10-19/h7-10,13-14,25H,4-6,11-12H2,1-3H3,(H,24,26)
InChIKeyVXBMKINAXOLKPH-UHFFFAOYSA-N
XLogP4.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide (CID 2097919) is 1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide is Cc1cc(C)c(NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)c(C)c1.
What is the InChIKey of 1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide?
The InChIKey is VXBMKINAXOLKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-15-13-16(2)20(17(3)14-15)24-21(26)22(11-5-4-6-12-22)25-29(27,28)19-9-7-18(23)8-10-19/h7-10,13-14,25H,4-6,11-12H2,1-3H3,(H,24,26).
What are the key properties of 1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide?
1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide has a molecular weight of 434.99 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 2097919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).