4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide

C15H20ClF3N2O2S — CID 134018860

IUPAC4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H20ClF3N2O2S/c1-3-21-8-6-12(7-9-21)20(2)24(22,23)14-5-4-11(16)10-13(14)15(17,18)19/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyBPVAZBMOZBTCTJ-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.46
Rot. Bonds4

About 4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 134018860) has the molecular formula C15H20ClF3N2O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID134018860
Molecular FormulaC15H20ClF3N2O2S
Molecular Weight384.85 g/mol
Exact Mass384.09
IUPAC Name4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H20ClF3N2O2S/c1-3-21-8-6-12(7-9-21)20(2)24(22,23)14-5-4-11(16)10-13(14)15(17,18)19/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyBPVAZBMOZBTCTJ-UHFFFAOYSA-N
XLogP3.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide
CID 43576335
4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 79378408
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide
CID 81242168
4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134018087
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259
4-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47813014
2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-sulfonamide
CID 62157571
N-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990512
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394334
4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide
CID 24679241
N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
CID 36649156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide (CID 134018860) is 4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide is CCN1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BPVAZBMOZBTCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2O2S/c1-3-21-8-6-12(7-9-21)20(2)24(22,23)14-5-4-11(16)10-13(14)15(17,18)19/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 384.85 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethylpiperidin-4-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134018860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).