2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide

C13H16ClF3N2O2S — CID 78808550

IUPAC2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C13H16ClF3N2O2S/c1-19-6-4-10(5-7-19)18-22(20,21)12-8-9(13(15,16)17)2-3-11(12)14/h2-3,8,10,18H,4-7H2,1H3
InChIKeyABHYEKANTZMTQS-UHFFFAOYSA-N
MW356.80 g/mol
LogP2.73
Rot. Bonds3

About 2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 78808550) has the molecular formula C13H16ClF3N2O2S and a molecular weight of 356.80 g/mol. Its IUPAC name is 2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID78808550
Molecular FormulaC13H16ClF3N2O2S
Molecular Weight356.80 g/mol
Exact Mass356.06
IUPAC Name2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C13H16ClF3N2O2S/c1-19-6-4-10(5-7-19)18-22(20,21)12-8-9(13(15,16)17)2-3-11(12)14/h2-3,8,10,18H,4-7H2,1H3
InChIKeyABHYEKANTZMTQS-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-Chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146666937
2,4-Dichloro-5-methyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 991863
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 4833482
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 3936034
1-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylazepane
CID 649018
1-(2-Chloro-5-trifluoromethyl-benzenesulfonyl)-4-methyl-piperazine
CID 24746798
1-{[2-Chloro-5-(trifluoromethyl)phenyl]sulfonyl}piperidine
CID 801298
1-Chloro-2-[(4-methylpiperazinyl)sulfonyl]-4-(trifluoromethyl)benzene
CID 801304
1-[4-Chloro-3-(trifluoromethyl)phenylsulfonyl]-2-methylpiperidine
CID 2939459
3-chloro-4-fluoro-N-((1-isopropylpiperidin-4-yl)methyl)benzenesulfonamide
CID 16887526
2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 45262346
2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 75444453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide (CID 78808550) is 2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide is CN1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ABHYEKANTZMTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2S/c1-19-6-4-10(5-7-19)18-22(20,21)12-8-9(13(15,16)17)2-3-11(12)14/h2-3,8,10,18H,4-7H2,1H3.
What are the key properties of 2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 356.80 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 78808550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).