4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide

C13H17F3N2O2S — CID 119964145

IUPAC4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2)cc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-9-4-5-11(7-12(9)13(14,15)16)21(19,20)18-10-3-2-6-17-8-10/h4-5,7,10,17-18H,2-3,6,8H2,1H3
InChIKeyNWPZGLIBFSBSOO-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.04
Rot. Bonds3

About 4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide

4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 119964145) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID119964145
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCNC2)cc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c1-9-4-5-11(7-12(9)13(14,15)16)21(19,20)18-10-3-2-6-17-8-10/h4-5,7,10,17-18H,2-3,6,8H2,1H3
InChIKeyNWPZGLIBFSBSOO-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3S)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104982544
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104645676
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
4-bromo-3-methyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964198
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
N-piperidin-3-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43120037
N-piperidin-3-ylnaphthalene-2-sulfonamide
CID 63321555
N-piperidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 63320918
N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 119964581

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide (CID 119964145) is 4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCNC2)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NWPZGLIBFSBSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-9-4-5-11(7-12(9)13(14,15)16)21(19,20)18-10-3-2-6-17-8-10/h4-5,7,10,17-18H,2-3,6,8H2,1H3.
What are the key properties of 4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119964145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).