N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide

C19H24N2O2S — CID 1121471

IUPACN-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)21-24(22,23)17-7-3-2-4-8-17/h2-4,7-8,11-14,18-21H,5-6,9-10H2,1H3/t18-,19-/m1/s1
InChIKeyHPCQMYRPVJZNTR-RTBURBONSA-N
MW344.48 g/mol
LogP3.70
Rot. Bonds5

About N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide

N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide (PubChem CID 1121471) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
PubChem CID1121471
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)21-24(22,23)17-7-3-2-4-8-17/h2-4,7-8,11-14,18-21H,5-6,9-10H2,1H3/t18-,19-/m1/s1
InChIKeyHPCQMYRPVJZNTR-RTBURBONSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
CID 23604885
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide
CID 23604948
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;ruthenium;1,2-xylene
CID 87832086
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
CID 11405210

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide (CID 1121471) is N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide is Cc1ccc(N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide?
The InChIKey is HPCQMYRPVJZNTR-RTBURBONSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)21-24(22,23)17-7-3-2-4-8-17/h2-4,7-8,11-14,18-21H,5-6,9-10H2,1H3/t18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide?
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 1121471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).