N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide

C19H22N2O3S — CID 2361079

IUPACN-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-8-10-17(11-9-15)20-25(23,24)18-7-5-6-16(14-18)19(22)21-12-3-2-4-13-21/h5-11,14,20H,2-4,12-13H2,1H3
InChIKeyXPIZFJUYQQZBGM-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.42
Rot. Bonds4

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

N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 2361079) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID2361079
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C19H22N2O3S/c1-15-8-10-17(11-9-15)20-25(23,24)18-7-5-6-16(14-18)19(22)21-12-3-2-4-13-21/h5-11,14,20H,2-4,12-13H2,1H3
InChIKeyXPIZFJUYQQZBGM-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
methyl 4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946370
N-(4-methylphenyl)-3-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55976998
3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380154
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 2361079) is N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is XPIZFJUYQQZBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-8-10-17(11-9-15)20-25(23,24)18-7-5-6-16(14-18)19(22)21-12-3-2-4-13-21/h5-11,14,20H,2-4,12-13H2,1H3.
What are the key properties of N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2361079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).