N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide

C29H35N3O4S — CID 11756479

IUPACN-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C3CCCCC3(O)c3cccnc3)CC2)cc1
InChIInChI=1S/C29H35N3O4S/c1-36-26-12-14-27(15-13-26)37(34,35)32(24-9-3-2-4-10-24)25-16-20-31(21-17-25)28-11-5-6-18-29(28,33)23-8-7-19-30-22-23/h2-4,7-10,12-15,19,22,25,28,33H,5-6,11,16-18,20-21H2,1H3
InChIKeyPHVCPCMYNUCFOZ-UHFFFAOYSA-N
MW521.68 g/mol
LogP4.58
Rot. Bonds7

About N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide

N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide (PubChem CID 11756479) has the molecular formula C29H35N3O4S and a molecular weight of 521.68 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide
PubChem CID11756479
Molecular FormulaC29H35N3O4S
Molecular Weight521.68 g/mol
Exact Mass521.23
IUPAC NameN-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C3CCCCC3(O)c3cccnc3)CC2)cc1
InChIInChI=1S/C29H35N3O4S/c1-36-26-12-14-27(15-13-26)37(34,35)32(24-9-3-2-4-10-24)25-16-20-31(21-17-25)28-11-5-6-18-29(28,33)23-8-7-19-30-22-23/h2-4,7-10,12-15,19,22,25,28,33H,5-6,11,16-18,20-21H2,1H3
InChIKeyPHVCPCMYNUCFOZ-UHFFFAOYSA-N
XLogP4.58
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.68
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 10077105
N-[1-[(1R,2S)-2-hydroxy-2-pyridin-4-ylcyclohexyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 91270421
N-[1-[(1R,2S)-2-(4-chlorophenyl)-2-hydroxycyclohexyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 90925354
N-(4-fluorophenyl)-N-[1-(4-hydroxy-4-phenyloxan-3-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 10098803
3,4-dichloro-N-[1-[2-(4-chlorophenyl)-2-hydroxycyclohexyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 90810101
2-(4-methoxyphenyl)sulfonyl-4-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 110223332
(3aS,4S,7aR)-2-(4-methoxyphenyl)sulfonyl-4-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 124796759
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
N-(3-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858646
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide (CID 11756479) is N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C3CCCCC3(O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is PHVCPCMYNUCFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4S/c1-36-26-12-14-27(15-13-26)37(34,35)32(24-9-3-2-4-10-24)25-16-20-31(21-17-25)28-11-5-6-18-29(28,33)23-8-7-19-30-22-23/h2-4,7-10,12-15,19,22,25,28,33H,5-6,11,16-18,20-21H2,1H3.
What are the key properties of N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide?
N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 521.68 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-pyridin-3-ylcyclohexyl)piperidin-4-yl]-4-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 11756479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).