3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C14H23ClN2O2S — CID 120724849

IUPAC3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCc1cccc(S(=O)(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-12-5-4-6-13(9-12)19(17,18)16-14-7-8-15-10-11(14)2;/h4-6,9,11,14-16H,3,7-8,10H2,1-2H3;1H
InChIKeyVMWYUAGLNFKMBC-UHFFFAOYSA-N
MW318.87 g/mol
LogP1.95
Rot. Bonds4

About 3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120724849) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120724849
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCc1cccc(S(=O)(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-3-12-5-4-6-13(9-12)19(17,18)16-14-7-8-15-10-11(14)2;/h4-6,9,11,14-16H,3,7-8,10H2,1-2H3;1H
InChIKeyVMWYUAGLNFKMBC-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724850
3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722944
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725107
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120724849) is 3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CCc1cccc(S(=O)(=O)NC2CCNCC2C)c1.Cl.
What is the InChIKey of 3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is VMWYUAGLNFKMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-3-12-5-4-6-13(9-12)19(17,18)16-14-7-8-15-10-11(14)2;/h4-6,9,11,14-16H,3,7-8,10H2,1-2H3;1H.
What are the key properties of 3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120724849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).