3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide

C19H22N2O3S — CID 109065600

IUPAC3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
SMILESCC1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)C1
InChIInChI=1S/C19H22N2O3S/c1-15-7-6-12-21(14-15)19(22)16-8-5-11-18(13-16)25(23,24)20-17-9-3-2-4-10-17/h2-5,8-11,13,15,20H,6-7,12,14H2,1H3
InChIKeyYNKBHYJXQXYUID-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.36
Rot. Bonds4

About 3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide

3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide (PubChem CID 109065600) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
PubChem CID109065600
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
SMILESCC1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)C1
InChIInChI=1S/C19H22N2O3S/c1-15-7-6-12-21(14-15)19(22)16-8-5-11-18(13-16)25(23,24)20-17-9-3-2-4-10-17/h2-5,8-11,13,15,20H,6-7,12,14H2,1H3
InChIKeyYNKBHYJXQXYUID-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
4-bromo-N-[3-(3-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 18160418
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109065260
3-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380154
N-(3-bromo-4-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 43001746
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 25390858
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109064404
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(benzenesulfonamido)benzoate
CID 7247767
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide (CID 109065600) is 3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide is CC1CCCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)C1.
What is the InChIKey of 3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide?
The InChIKey is YNKBHYJXQXYUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-7-6-12-21(14-15)19(22)16-8-5-11-18(13-16)25(23,24)20-17-9-3-2-4-10-17/h2-5,8-11,13,15,20H,6-7,12,14H2,1H3.
What are the key properties of 3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide?
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 109065600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).