N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide

C27H27N3O4S — CID 25152522

IUPACN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C)c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C27H27N3O4S/c1-19-7-12-23(29-35(32,33)26-6-4-3-5-25(26)34-2)17-24(19)27(31)30-15-13-22(14-16-30)21-10-8-20(18-28)9-11-21/h3-12,17,22,29H,13-16H2,1-2H3
InChIKeyXAVOLJCASUZTCK-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.70
Rot. Bonds6

About N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide

N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide (PubChem CID 25152522) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide
PubChem CID25152522
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC NameN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C)c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C27H27N3O4S/c1-19-7-12-23(29-35(32,33)26-6-4-3-5-25(26)34-2)17-24(19)27(31)30-15-13-22(14-16-30)21-10-8-20(18-28)9-11-21/h3-12,17,22,29H,13-16H2,1-2H3
InChIKeyXAVOLJCASUZTCK-UHFFFAOYSA-N
XLogP4.70
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]pentane-2-sulfonamide
CID 25152125
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-1-(3-fluorophenyl)methanesulfonamide
CID 25152126
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
4-butoxy-N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]benzenesulfonamide;N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-fluorophenyl]-1-phenylmethanesulfonamide
CID 87720737
2-methylpropyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]carbamate
CID 24988178
2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660961
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]benzenesulfonamide
CID 25153989
1-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-3-(pyridin-3-ylmethyl)urea
CID 25132035
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanol;methyl 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoate
CID 157214542
N-[3-[(3R,4R)-4-amino-1-(2,5-dimethylbenzoyl)pyrrolidin-3-yl]oxyphenyl]-2-methoxybenzenesulfonamide
CID 155386452
2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 134025737

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide (CID 25152522) is N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc(C)c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1.
What is the InChIKey of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide?
The InChIKey is XAVOLJCASUZTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-19-7-12-23(29-35(32,33)26-6-4-3-5-25(26)34-2)17-24(19)27(31)30-15-13-22(14-16-30)21-10-8-20(18-28)9-11-21/h3-12,17,22,29H,13-16H2,1-2H3.
What are the key properties of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide?
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide has a molecular weight of 489.60 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 25152522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).