4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

C14H18ClF3N2O2S — CID 119979324

IUPAC4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O2S/c15-13-4-3-11(8-12(13)14(16,17)18)23(21,22)20-7-5-10-2-1-6-19-9-10/h3-4,8,10,19-20H,1-2,5-7,9H2
InChIKeyHDWIYOIOVKPWOJ-UHFFFAOYSA-N
MW370.82 g/mol
LogP3.03
Rot. Bonds5

About 4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 119979324) has the molecular formula C14H18ClF3N2O2S and a molecular weight of 370.82 g/mol. Its IUPAC name is 4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID119979324
Molecular FormulaC14H18ClF3N2O2S
Molecular Weight370.82 g/mol
Exact Mass370.07
IUPAC Name4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2O2S/c15-13-4-3-11(8-12(13)14(16,17)18)23(21,22)20-7-5-10-2-1-6-19-9-10/h3-4,8,10,19-20H,1-2,5-7,9H2
InChIKeyHDWIYOIOVKPWOJ-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.03
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
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104645676
2-chloro-5-methylsulfonyl-N-[2-[(3R)-piperidin-3-yl]ethyl]benzenesulfonamide
CID 124690405
N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119979230
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
4-fluoro-N-[[(3S)-piperidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 124698032
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
4-chloro-N-[2-(cyclopropylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 62665527
2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 103088990

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 119979324) is 4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCC1CCCNC1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HDWIYOIOVKPWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O2S/c15-13-4-3-11(8-12(13)14(16,17)18)23(21,22)20-7-5-10-2-1-6-19-9-10/h3-4,8,10,19-20H,1-2,5-7,9H2.
What are the key properties of 4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 370.82 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119979324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).