N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide

C15H22N2O4S — CID 19916348

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H22N2O4S/c1-17(13-5-3-4-6-14(13)18)15(19)11-7-9-12(10-8-11)16-22(2,20)21/h7-10,13-14,16,18H,3-6H2,1-2H3/t13-,14-/m1/s1
InChIKeyLEPOFUPNXFAHKL-ZIAGYGMSSA-N
MW326.42 g/mol
LogP1.43
Rot. Bonds4

About N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide

N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide (PubChem CID 19916348) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide
PubChem CID19916348
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H22N2O4S/c1-17(13-5-3-4-6-14(13)18)15(19)11-7-9-12(10-8-11)16-22(2,20)21/h7-10,13-14,16,18H,3-6H2,1-2H3/t13-,14-/m1/s1
InChIKeyLEPOFUPNXFAHKL-ZIAGYGMSSA-N
XLogP1.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19061824
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
CID 102634914
N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 102634950
4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631902
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
N-cyclopentyl-4-(methanesulfonamido)-N-prop-2-enylbenzamide
CID 51093124
4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid
CID 102633588
4-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]carbamoyl]benzoic acid
CID 125132908
N-(2-hydroxycyclohexyl)-4-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 102635822
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide (CID 19916348) is N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide is CN(C(=O)c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is LEPOFUPNXFAHKL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-17(13-5-3-4-6-14(13)18)15(19)11-7-9-12(10-8-11)16-22(2,20)21/h7-10,13-14,16,18H,3-6H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 19916348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).