N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide

C21H26N2O4S — CID 19061824

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-7-13-18(14-8-15)28(26,27)22-17-11-9-16(10-12-17)21(25)23(2)19-5-3-4-6-20(19)24/h7-14,19-20,22,24H,3-6H2,1-2H3/t19-,20-/m1/s1
InChIKeyFQBRZYSZDGIFNZ-WOJBJXKFSA-N
MW402.52 g/mol
LogP3.17
Rot. Bonds5

About N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide

N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 19061824) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID19061824
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-7-13-18(14-8-15)28(26,27)22-17-11-9-16(10-12-17)21(25)23(2)19-5-3-4-6-20(19)24/h7-14,19-20,22,24H,3-6H2,1-2H3/t19-,20-/m1/s1
InChIKeyFQBRZYSZDGIFNZ-WOJBJXKFSA-N
XLogP3.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide
CID 19916348
4-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 28567343
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 55735491
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742323
N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
CID 102634914
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
trans-(1S,2S)-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6958871
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 19061824) is N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3O)cc2)cc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is FQBRZYSZDGIFNZ-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-7-13-18(14-8-15)28(26,27)22-17-11-9-16(10-12-17)21(25)23(2)19-5-3-4-6-20(19)24/h7-14,19-20,22,24H,3-6H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.17, 5 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]-N-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 19061824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).