4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C14H20ClF3N2O2S — CID 120726129

IUPAC4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2C)cc1C(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O2S.ClH/c1-9-5-6-11(8-12(9)14(15,16)17)22(20,21)19-13-4-3-7-18-10(13)2;/h5-6,8,10,13,18-19H,3-4,7H2,1-2H3;1H
InChIKeyGFIYKBLUDKYZHP-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.85
Rot. Bonds3

About 4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120726129) has the molecular formula C14H20ClF3N2O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120726129
Molecular FormulaC14H20ClF3N2O2S
Molecular Weight372.84 g/mol
Exact Mass372.09
IUPAC Name4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2C)cc1C(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O2S.ClH/c1-9-5-6-11(8-12(9)14(15,16)17)22(20,21)19-13-4-3-7-18-10(13)2;/h5-6,8,10,13,18-19H,3-4,7H2,1-2H3;1H
InChIKeyGFIYKBLUDKYZHP-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726470
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195
2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120726485
1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
CID 120726415

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120726129) is 4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NC2CCCNC2C)cc1C(F)(F)F.Cl.
What is the InChIKey of 4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is GFIYKBLUDKYZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S.ClH/c1-9-5-6-11(8-12(9)14(15,16)17)22(20,21)19-13-4-3-7-18-10(13)2;/h5-6,8,10,13,18-19H,3-4,7H2,1-2H3;1H.
What are the key properties of 4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 372.84 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120726129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).