4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

C14H20N2O3S — CID 60635809

IUPAC4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H20N2O3S/c1-10-4-3-7-16(9-10)14(17)13-8-12(20(15,18)19)6-5-11(13)2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,15,18,19)
InChIKeyXISDYEAIKOQKQR-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.51
Rot. Bonds2

About 4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 60635809) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID60635809
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H20N2O3S/c1-10-4-3-7-16(9-10)14(17)13-8-12(20(15,18)19)6-5-11(13)2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,15,18,19)
InChIKeyXISDYEAIKOQKQR-UHFFFAOYSA-N
XLogP1.51
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]benzenesulfonamide
CID 124606077
3-(3,4-dimethylpyrrolidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 79036562
[2-methyl-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 99969007
4-bromo-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 62732706
3-(2,3-dimethylpiperidine-1-carbonyl)-4-methylbenzenesulfonamide
CID 62124684
4-bromo-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 126768787
(5-amino-2-methylphenyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 120626598
4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60876018
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 65311065
4-ethoxy-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65386859
3-[(9aS)-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-4-methylbenzenesulfonamide
CID 95120525
N-cyclopropyl-4-methyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119490233

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 60635809) is 4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC(C)C1.
What is the InChIKey of 4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is XISDYEAIKOQKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-4-3-7-16(9-10)14(17)13-8-12(20(15,18)19)6-5-11(13)2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,15,18,19).
What are the key properties of 4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 60635809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).