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

C14H12ClF3N2O3S — CID 71038451

IUPAC4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H12ClF3N2O3S/c1-2-23-13-6-3-9(8-19-13)20-24(21,22)10-4-5-12(15)11(7-10)14(16,17)18/h3-8,20H,2H2,1H3
InChIKeyPDCVNZDPRPPBCT-UHFFFAOYSA-N
MW380.78 g/mol
LogP3.95
Rot. Bonds5

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

4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71038451) has the molecular formula C14H12ClF3N2O3S and a molecular weight of 380.78 g/mol. Its IUPAC name is 4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71038451
Molecular FormulaC14H12ClF3N2O3S
Molecular Weight380.78 g/mol
Exact Mass380.02
IUPAC Name4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H12ClF3N2O3S/c1-2-23-13-6-3-9(8-19-13)20-24(21,22)10-4-5-12(15)11(7-10)14(16,17)18/h3-8,20H,2H2,1H3
InChIKeyPDCVNZDPRPPBCT-UHFFFAOYSA-N
XLogP3.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56532242
4-chloro-N-(4-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038589
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
CID 3775544
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
2-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-sulfonamide
CID 82795250
4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000732
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 9240243
4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 36513836

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide (CID 71038451) is 4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PDCVNZDPRPPBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O3S/c1-2-23-13-6-3-9(8-19-13)20-24(21,22)10-4-5-12(15)11(7-10)14(16,17)18/h3-8,20H,2H2,1H3.
What are the key properties of 4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 380.78 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71038451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).