1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide

C12H14ClF3N2O2S — CID 90840814

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide
SMILESNS(=O)(=O)C1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C12H14ClF3N2O2S/c13-10-7-8(12(14,15)16)1-2-11(10)18-5-3-9(4-6-18)21(17,19)20/h1-2,7,9H,3-6H2,(H2,17,19,20)
InChIKeyAFVUOSDNXTXNIP-UHFFFAOYSA-N
MW342.77 g/mol
LogP2.62
Rot. Bonds2

About 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide

1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide (PubChem CID 90840814) has the molecular formula C12H14ClF3N2O2S and a molecular weight of 342.77 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide
PubChem CID90840814
Molecular FormulaC12H14ClF3N2O2S
Molecular Weight342.77 g/mol
Exact Mass342.04
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide
SMILESNS(=O)(=O)C1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C12H14ClF3N2O2S/c13-10-7-8(12(14,15)16)1-2-11(10)18-5-3-9(4-6-18)21(17,19)20/h1-2,7,9H,3-6H2,(H2,17,19,20)
InChIKeyAFVUOSDNXTXNIP-UHFFFAOYSA-N
XLogP2.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 63667119
2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 102226461
tert-butyl N-[1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 175141152
[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate
CID 175145028
2-[2-chloro-4-(trifluoromethyl)phenyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79923127
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidin-4-one
CID 63668791
2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-2,4-dione
CID 79515454
[5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
CID 169490391
(2S)-1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 91440757
1-[2-bromo-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712545
4-(bromomethyl)-1-[2-chloro-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168505671

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide (CID 90840814) is 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide is NS(=O)(=O)C1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide?
The InChIKey is AFVUOSDNXTXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S/c13-10-7-8(12(14,15)16)1-2-11(10)18-5-3-9(4-6-18)21(17,19)20/h1-2,7,9H,3-6H2,(H2,17,19,20).
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide?
1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide has a molecular weight of 342.77 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]piperidine-4-sulfonamide is sourced from PubChem (CID 90840814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).