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

C30H34Cl2N2O3S — CID 90709522

IUPAC3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
SMILESCOc1cccc(N(C2CCN(C3CCCCC3c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C30H34Cl2N2O3S/c1-37-25-11-7-10-24(20-25)34(38(35,36)26-14-15-28(31)29(32)21-26)23-16-18-33(19-17-23)30-13-6-5-12-27(30)22-8-3-2-4-9-22/h2-4,7-11,14-15,20-21,23,27,30H,5-6,12-13,16-19H2,1H3
InChIKeyDRXXWELZPMOYTC-UHFFFAOYSA-N
MW573.59 g/mol
LogP7.39
Rot. Bonds7

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

3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 90709522) has the molecular formula C30H34Cl2N2O3S and a molecular weight of 573.59 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
PubChem CID90709522
Molecular FormulaC30H34Cl2N2O3S
Molecular Weight573.59 g/mol
Exact Mass572.17
IUPAC Name3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
SMILESCOc1cccc(N(C2CCN(C3CCCCC3c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C30H34Cl2N2O3S/c1-37-25-11-7-10-24(20-25)34(38(35,36)26-14-15-28(31)29(32)21-26)23-16-18-33(19-17-23)30-13-6-5-12-27(30)22-8-3-2-4-9-22/h2-4,7-11,14-15,20-21,23,27,30H,5-6,12-13,16-19H2,1H3
InChIKeyDRXXWELZPMOYTC-UHFFFAOYSA-N
XLogP7.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.59
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 91207633
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-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 91489416
4-chloro-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 90957662
3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91125540
3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91128636
N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide
CID 91306761
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91137183
N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 91422522
N-[1-[(1R,2S)-2-(4-chlorophenyl)-2-hydroxycyclohexyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 90925354

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide (CID 90709522) is 3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide is COc1cccc(N(C2CCN(C3CCCCC3c3ccccc3)CC2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is DRXXWELZPMOYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Cl2N2O3S/c1-37-25-11-7-10-24(20-25)34(38(35,36)26-14-15-28(31)29(32)21-26)23-16-18-33(19-17-23)30-13-6-5-12-27(30)22-8-3-2-4-9-22/h2-4,7-11,14-15,20-21,23,27,30H,5-6,12-13,16-19H2,1H3.
What are the key properties of 3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide?
3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 573.59 g/mol, XLogP of 7.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 90709522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).