4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide

C30H35ClN2O3S — CID 91207633

IUPAC4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1cccc(N(C2CCN([C@@H]3CCCC[C@@H]3c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C30H35ClN2O3S/c1-36-27-11-7-10-26(22-27)33(37(34,35)28-16-14-24(31)15-17-28)25-18-20-32(21-19-25)30-13-6-5-12-29(30)23-8-3-2-4-9-23/h2-4,7-11,14-17,22,25,29-30H,5-6,12-13,18-21H2,1H3/t29-,30-/m1/s1
InChIKeyYNHJQQWVVSNSPH-LOYHVIPDSA-N
MW539.14 g/mol
LogP6.73
Rot. Bonds7

About 4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide

4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 91207633) has the molecular formula C30H35ClN2O3S and a molecular weight of 539.14 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
PubChem CID91207633
Molecular FormulaC30H35ClN2O3S
Molecular Weight539.14 g/mol
Exact Mass538.21
IUPAC Name4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1cccc(N(C2CCN([C@@H]3CCCC[C@@H]3c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C30H35ClN2O3S/c1-36-27-11-7-10-26(22-27)33(37(34,35)28-16-14-24(31)15-17-28)25-18-20-32(21-19-25)30-13-6-5-12-29(30)23-8-3-2-4-9-23/h2-4,7-11,14-17,22,25,29-30H,5-6,12-13,18-21H2,1H3/t29-,30-/m1/s1
InChIKeyYNHJQQWVVSNSPH-LOYHVIPDSA-N
XLogP6.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.14
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 90851608
3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 90709522
4-chloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 91541603
4-chloro-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 90957662
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 91489416
N-[1-[(1R,2S)-2-(4-chlorophenyl)-2-hydroxycyclohexyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 90925354
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91125540
N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide
CID 91306761
N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 91422522
3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91137183
N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 10113916

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide (CID 91207633) is 4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide is COc1cccc(N(C2CCN([C@@H]3CCCC[C@@H]3c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is YNHJQQWVVSNSPH-LOYHVIPDSA-N. The full InChI is InChI=1S/C30H35ClN2O3S/c1-36-27-11-7-10-26(22-27)33(37(34,35)28-16-14-24(31)15-17-28)25-18-20-32(21-19-25)30-13-6-5-12-29(30)23-8-3-2-4-9-23/h2-4,7-11,14-17,22,25,29-30H,5-6,12-13,18-21H2,1H3/t29-,30-/m1/s1.
What are the key properties of 4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 539.14 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 91207633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).