2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide

C20H17F3N2O4S — CID 56684295

IUPAC2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cncc(-c3ccc(C(F)(F)F)cc3)c2)c1
InChIInChI=1S/C20H17F3N2O4S/c1-28-17-7-8-18(29-2)19(10-17)30(26,27)25-16-9-14(11-24-12-16)13-3-5-15(6-4-13)20(21,22)23/h3-12,25H,1-2H3
InChIKeyWCKHCTHTCRBRLO-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.59
Rot. Bonds6

About 2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide

2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 56684295) has the molecular formula C20H17F3N2O4S and a molecular weight of 438.43 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
PubChem CID56684295
Molecular FormulaC20H17F3N2O4S
Molecular Weight438.43 g/mol
Exact Mass438.09
IUPAC Name2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cncc(-c3ccc(C(F)(F)F)cc3)c2)c1
InChIInChI=1S/C20H17F3N2O4S/c1-28-17-7-8-18(29-2)19(10-17)30(26,27)25-16-9-14(11-24-12-16)13-3-5-15(6-4-13)20(21,22)23/h3-12,25H,1-2H3
InChIKeyWCKHCTHTCRBRLO-UHFFFAOYSA-N
XLogP4.59
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
2,5-dimethoxy-N'-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonohydrazide
CID 8505651
5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 56684237
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 1295813
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
2,5-dimethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7553626
N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134137036
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
N-[5-(tert-butylamino)-2-pyridinyl]-2,5-dimethoxybenzenesulfonamide
CID 113030058
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
cyclohexyl 5-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylamino]pyridine-3-carboxylate
CID 71724734

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide (CID 56684295) is 2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cncc(-c3ccc(C(F)(F)F)cc3)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is WCKHCTHTCRBRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4S/c1-28-17-7-8-18(29-2)19(10-17)30(26,27)25-16-9-14(11-24-12-16)13-3-5-15(6-4-13)20(21,22)23/h3-12,25H,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide?
2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 438.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 56684295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).