4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

C12H14ClF3N2O2S — CID 104645676

IUPAC4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCNC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H14ClF3N2O2S/c13-11-4-3-9(6-10(11)12(14,15)16)21(19,20)18-8-2-1-5-17-7-8/h3-4,6,8,17-18H,1-2,5,7H2/t8-/m1/s1
InChIKeyVXFOEPQYDXZHDX-MRVPVSSYSA-N
MW342.77 g/mol
LogP2.39
Rot. Bonds3

About 4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 104645676) has the molecular formula C12H14ClF3N2O2S and a molecular weight of 342.77 g/mol. Its IUPAC name is 4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID104645676
Molecular FormulaC12H14ClF3N2O2S
Molecular Weight342.77 g/mol
Exact Mass342.04
IUPAC Name4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1CCCNC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H14ClF3N2O2S/c13-11-4-3-9(6-10(11)12(14,15)16)21(19,20)18-8-2-1-5-17-7-8/h3-4,6,8,17-18H,1-2,5,7H2/t8-/m1/s1
InChIKeyVXFOEPQYDXZHDX-MRVPVSSYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 52.39
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-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145
3-bromo-4-chloro-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 106606906
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 119979324
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide
CID 119964211
N-(4-aminocyclohexyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119970603
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
3-chloro-4-cyano-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982589
3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964435

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 104645676) is 4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(N[C@@H]1CCCNC1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VXFOEPQYDXZHDX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S/c13-11-4-3-9(6-10(11)12(14,15)16)21(19,20)18-8-2-1-5-17-7-8/h3-4,6,8,17-18H,1-2,5,7H2/t8-/m1/s1.
What are the key properties of 4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 342.77 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 104645676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).