3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide

C27H28N2O4S — CID 55956075

IUPAC3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)c2)cc1
InChIInChI=1S/C27H28N2O4S/c1-19-6-10-21(11-7-19)26(30)22-14-16-29(17-15-22)27(31)23-4-3-5-25(18-23)34(32,33)28-24-12-8-20(2)9-13-24/h3-13,18,22,28H,14-17H2,1-2H3
InChIKeyIUBJXAMGJROGCO-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.84
Rot. Bonds6

About 3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide

3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 55956075) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is 3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
PubChem CID55956075
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC Name3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)c2)cc1
InChIInChI=1S/C27H28N2O4S/c1-19-6-10-21(11-7-19)26(30)22-14-16-29(17-15-22)27(31)23-4-3-5-25(18-23)34(32,33)28-24-12-8-20(2)9-13-24/h3-13,18,22,28H,14-17H2,1-2H3
InChIKeyIUBJXAMGJROGCO-UHFFFAOYSA-N
XLogP4.84
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55955437
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
N-(3-methoxypropyl)-1-[3-[(4-methylphenyl)sulfamoyl]benzoyl]piperidine-4-carboxamide
CID 55954327
3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380154
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 119485855
methyl 4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946370
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55976998
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide (CID 55956075) is 3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)c2)cc1.
What is the InChIKey of 3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is IUBJXAMGJROGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-19-6-10-21(11-7-19)26(30)22-14-16-29(17-15-22)27(31)23-4-3-5-25(18-23)34(32,33)28-24-12-8-20(2)9-13-24/h3-13,18,22,28H,14-17H2,1-2H3.
What are the key properties of 3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide?
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 476.60 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 55956075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).