N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide

C21H26N2O4S — CID 98771871

IUPACN-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C21H26N2O4S/c1-22(19-13-6-7-14-20(19)24)21(25)16-9-8-12-18(15-16)28(26,27)23(2)17-10-4-3-5-11-17/h3-5,8-12,15,19-20,24H,6-7,13-14H2,1-2H3/t19-,20+/m0/s1
InChIKeyHPLWRCQIMODPPC-VQTJNVASSA-N
MW402.52 g/mol
LogP2.89
Rot. Bonds5

About N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide

N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 98771871) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID98771871
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C21H26N2O4S/c1-22(19-13-6-7-14-20(19)24)21(25)16-9-8-12-18(15-16)28(26,27)23(2)17-10-4-3-5-11-17/h3-5,8-12,15,19-20,24H,6-7,13-14H2,1-2H3/t19-,20+/m0/s1
InChIKeyHPLWRCQIMODPPC-VQTJNVASSA-N
XLogP2.89
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-cyclopentyl-N-methylbenzamide
CID 99950308
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide
CID 126808026
N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26998902
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 124736707
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635668
N-benzyl-N-(1-cyclopropylethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 75854495
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46582047
3-ethylsulfonyl-N-methyl-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 97248877
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26665113

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide (CID 98771871) is N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide is CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is HPLWRCQIMODPPC-VQTJNVASSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-22(19-13-6-7-14-20(19)24)21(25)16-9-8-12-18(15-16)28(26,27)23(2)17-10-4-3-5-11-17/h3-5,8-12,15,19-20,24H,6-7,13-14H2,1-2H3/t19-,20+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide?
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 98771871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).