N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide

C15H22N2O3S — CID 93232744

IUPACN-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C15H22N2O3S/c1-3-16-21(19,20)14-9-6-8-13(11-14)15(18)17-10-5-4-7-12(17)2/h6,8-9,11-12,16H,3-5,7,10H2,1-2H3/t12-/m0/s1
InChIKeyQFQXAVJADGWFDW-LBPRGKRZSA-N
MW310.42 g/mol
LogP2.00
Rot. Bonds4

About N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide

N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide (PubChem CID 93232744) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
PubChem CID93232744
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C)c1
InChIInChI=1S/C15H22N2O3S/c1-3-16-21(19,20)14-9-6-8-13(11-14)15(18)17-10-5-4-7-12(17)2/h6,8-9,11-12,16H,3-5,7,10H2,1-2H3/t12-/m0/s1
InChIKeyQFQXAVJADGWFDW-LBPRGKRZSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24537601
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446
N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 74246850
1-[3-(ethylsulfamoyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064085
N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 26011766
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 51145477
3-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 109064909
N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide
CID 55565587

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide (CID 93232744) is N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide is CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C)c1.
What is the InChIKey of N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is QFQXAVJADGWFDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-16-21(19,20)14-9-6-8-13(11-14)15(18)17-10-5-4-7-12(17)2/h6,8-9,11-12,16H,3-5,7,10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide?
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 93232744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).