4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide

C24H31ClN2O4S — CID 78107818

IUPAC4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(CN(C2CCCCC2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H31ClN2O4S/c1-17-5-3-4-6-23(17)27(32(30,31)22-13-11-21(25)12-14-22)15-19-7-9-20(10-8-19)24(29)26-18(2)16-28/h7-14,17-18,23,28H,3-6,15-16H2,1-2H3,(H,26,29)
InChIKeyXRHBNAAMWYAKDD-UHFFFAOYSA-N
MW479.04 g/mol
LogP4.22
Rot. Bonds8

About 4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide

4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 78107818) has the molecular formula C24H31ClN2O4S and a molecular weight of 479.04 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID78107818
Molecular FormulaC24H31ClN2O4S
Molecular Weight479.04 g/mol
Exact Mass478.17
IUPAC Name4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccc(CN(C2CCCCC2C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H31ClN2O4S/c1-17-5-3-4-6-23(17)27(32(30,31)22-13-11-21(25)12-14-22)15-19-7-9-20(10-8-19)24(29)26-18(2)16-28/h7-14,17-18,23,28H,3-6,15-16H2,1-2H3,(H,26,29)
InChIKeyXRHBNAAMWYAKDD-UHFFFAOYSA-N
XLogP4.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.04
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide (CID 78107818) is 4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1ccc(CN(C2CCCCC2C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is XRHBNAAMWYAKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O4S/c1-17-5-3-4-6-23(17)27(32(30,31)22-13-11-21(25)12-14-22)15-19-7-9-20(10-8-19)24(29)26-18(2)16-28/h7-14,17-18,23,28H,3-6,15-16H2,1-2H3,(H,26,29).
What are the key properties of 4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide?
4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 479.04 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 78107818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).