5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide

C15H11ClF3N5O2S — CID 69353398

IUPAC5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide
SMILESCc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)nc2)cc1Cl
InChIInChI=1S/C15H11ClF3N5O2S/c1-8-2-3-9(6-11(8)16)13-22-14(15(17,18)19)23-24(13)10-4-5-12(21-7-10)27(20,25)26/h2-7H,1H3,(H2,20,25,26)
InChIKeyYQURMKSUMDAPOA-UHFFFAOYSA-N
MW417.80 g/mol
LogP2.96
Rot. Bonds3

About 5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide

5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide (PubChem CID 69353398) has the molecular formula C15H11ClF3N5O2S and a molecular weight of 417.80 g/mol. Its IUPAC name is 5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide
PubChem CID69353398
Molecular FormulaC15H11ClF3N5O2S
Molecular Weight417.80 g/mol
Exact Mass417.03
IUPAC Name5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide
SMILESCc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)nc2)cc1Cl
InChIInChI=1S/C15H11ClF3N5O2S/c1-8-2-3-9(6-11(8)16)13-22-14(15(17,18)19)23-24(13)10-4-5-12(21-7-10)27(20,25)26/h2-7H,1H3,(H2,20,25,26)
InChIKeyYQURMKSUMDAPOA-UHFFFAOYSA-N
XLogP2.96
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.80
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide
CID 69352242
5-[5-pyridin-4-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonic acid
CID 22226800
6-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid
CID 22226750
3-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine
CID 22226709
5-[5-[3-chloro-4-(1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide
CID 10227064
4-[5-pyridin-4-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 22226652
3-[5-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-6-methylsulfonylpyridazine
CID 22226720
5-(4-chloro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 10094309
4-[5-(2,3-dichlorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 22226762
4-[2-(4-chloro-3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10621806
6-[5-(3,5-dichloro-4-methoxyphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-sulfonic acid
CID 22226819
1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 14027597

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide (CID 69353398) is 5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide is Cc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)nc2)cc1Cl.
What is the InChIKey of 5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide?
The InChIKey is YQURMKSUMDAPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O2S/c1-8-2-3-9(6-11(8)16)13-22-14(15(17,18)19)23-24(13)10-4-5-12(21-7-10)27(20,25)26/h2-7H,1H3,(H2,20,25,26).
What are the key properties of 5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide?
5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide has a molecular weight of 417.80 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 69353398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).