N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide

C30H36N2O2S — CID 91422522

IUPACN-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccccc1N(C1CCN(C2CCCCC2c2ccccc2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H36N2O2S/c1-24-12-8-10-18-29(24)32(35(33,34)27-15-6-3-7-16-27)26-20-22-31(23-21-26)30-19-11-9-17-28(30)25-13-4-2-5-14-25/h2-8,10,12-16,18,26,28,30H,9,11,17,19-23H2,1H3
InChIKeyBDMMQBIRQCBDNY-UHFFFAOYSA-N
MW488.70 g/mol
LogP6.38
Rot. Bonds6

About N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide

N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 91422522) has the molecular formula C30H36N2O2S and a molecular weight of 488.70 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
PubChem CID91422522
Molecular FormulaC30H36N2O2S
Molecular Weight488.70 g/mol
Exact Mass488.25
IUPAC NameN-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccccc1N(C1CCN(C2CCCCC2c2ccccc2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H36N2O2S/c1-24-12-8-10-18-29(24)32(35(33,34)27-15-6-3-7-16-27)26-20-22-31(23-21-26)30-19-11-9-17-28(30)25-13-4-2-5-14-25/h2-8,10,12-16,18,26,28,30H,9,11,17,19-23H2,1H3
InChIKeyBDMMQBIRQCBDNY-UHFFFAOYSA-N
XLogP6.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.70
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide 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-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 91489416
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 90851608
4-chloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 91541603
4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 91207633
4-chloro-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 90957662
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91172689
3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 90709522
N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91468186
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
N-methyl-1-(2-phenylcyclohexyl)pyrrolidin-3-amine
CID 105402237
N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91353172
1-(2-phenylcyclohexyl)-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 69486342

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide (CID 91422522) is N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide is Cc1ccccc1N(C1CCN(C2CCCCC2c2ccccc2)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is BDMMQBIRQCBDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2S/c1-24-12-8-10-18-29(24)32(35(33,34)27-15-6-3-7-16-27)26-20-22-31(23-21-26)30-19-11-9-17-28(30)25-13-4-2-5-14-25/h2-8,10,12-16,18,26,28,30H,9,11,17,19-23H2,1H3.
What are the key properties of N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide?
N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 488.70 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 91422522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).