N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

C15H22N2O3S — CID 46798331

IUPACN-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C15H22N2O3S/c1-3-16-21(19,20)14-8-4-7-13(10-14)15(18)17-9-5-6-12(2)11-17/h4,7-8,10,12,16H,3,5-6,9,11H2,1-2H3
InChIKeyUYBDQOLDLCXNJT-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.86
Rot. Bonds4

About N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 46798331) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID46798331
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C15H22N2O3S/c1-3-16-21(19,20)14-8-4-7-13(10-14)15(18)17-9-5-6-12(2)11-17/h4,7-8,10,12,16H,3,5-6,9,11H2,1-2H3
InChIKeyUYBDQOLDLCXNJT-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109065260
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
1-[3-(ethylsulfamoyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064085
3-acetyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 51149463
N-(3-bromo-4-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 43001746
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 109065536
1-[4-[3-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 18280417
3-[3-(methylamino)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119487555
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 46798331) is N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is CCNS(=O)(=O)c1cccc(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is UYBDQOLDLCXNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-16-21(19,20)14-8-4-7-13(10-14)15(18)17-9-5-6-12(2)11-17/h4,7-8,10,12,16H,3,5-6,9,11H2,1-2H3.
What are the key properties of N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 46798331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).