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

C14H20ClF3N2O2S — CID 120720704

IUPACN-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCNC1.Cl
InChIInChI=1S/C14H19F3N2O2S.ClH/c1-13(7-2-8-18-9-13)10-19-22(20,21)12-5-3-11(4-6-12)14(15,16)17;/h3-6,18-19H,2,7-10H2,1H3;1H
InChIKeyADXWZIFBAJEJMH-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.80
Rot. Bonds4

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

N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120720704) has the molecular formula C14H20ClF3N2O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120720704
Molecular FormulaC14H20ClF3N2O2S
Molecular Weight372.84 g/mol
Exact Mass372.09
IUPAC NameN-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCNC1.Cl
InChIInChI=1S/C14H19F3N2O2S.ClH/c1-13(7-2-8-18-9-13)10-19-22(20,21)12-5-3-11(4-6-12)14(15,16)17;/h3-6,18-19H,2,7-10H2,1H3;1H
InChIKeyADXWZIFBAJEJMH-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720830
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 119958876
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120720689
2-chloro-5-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720825
N-[(4-methylpiperidin-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 120720448
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
4-methyl-N-[(4-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719842
5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720844
4,5-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2-nitrobenzenesulfonamide
CID 120720759
4-bromo-2-fluoro-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 116527979

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120720704) is N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride is CC1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CCCNC1.Cl.
What is the InChIKey of N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is ADXWZIFBAJEJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S.ClH/c1-13(7-2-8-18-9-13)10-19-22(20,21)12-5-3-11(4-6-12)14(15,16)17;/h3-6,18-19H,2,7-10H2,1H3;1H.
What are the key properties of N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 372.84 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).