4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

C12H7Cl2F3N2O2S — CID 56532242

IUPAC4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H7Cl2F3N2O2S/c13-10-3-2-8(5-9(10)12(15,16)17)22(20,21)19-7-1-4-11(14)18-6-7/h1-6,19H
InChIKeyITDKHABDENAVKQ-UHFFFAOYSA-N
MW371.17 g/mol
LogP4.21
Rot. Bonds3

About 4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 56532242) has the molecular formula C12H7Cl2F3N2O2S and a molecular weight of 371.17 g/mol. Its IUPAC name is 4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID56532242
Molecular FormulaC12H7Cl2F3N2O2S
Molecular Weight371.17 g/mol
Exact Mass369.96
IUPAC Name4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H7Cl2F3N2O2S/c13-10-3-2-8(5-9(10)12(15,16)17)22(20,21)19-7-1-4-11(14)18-6-7/h1-6,19H
InChIKeyITDKHABDENAVKQ-UHFFFAOYSA-N
XLogP4.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038451
N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555
4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844123
2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
CID 82795250
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
4-chloro-N-(4-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038589
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 9240243
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
CID 3775544
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (CID 56532242) is 4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)nc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ITDKHABDENAVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O2S/c13-10-3-2-8(5-9(10)12(15,16)17)22(20,21)19-7-1-4-11(14)18-6-7/h1-6,19H.
What are the key properties of 4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 371.17 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 56532242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).