5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide

C14H8F3N5O2S2 — CID 71771034

IUPAC5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1C(F)(F)F
InChIInChI=1S/C14H8F3N5O2S2/c15-14(16,17)10-5-9(2-1-8(10)6-18)22-7-11(20-21-22)12-3-4-13(25-12)26(19,23)24/h1-5,7H,(H2,19,23,24)
InChIKeyRBPMGTXZIWMAFA-UHFFFAOYSA-N
MW399.38 g/mol
LogP2.53
Rot. Bonds3

About 5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide

5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide (PubChem CID 71771034) has the molecular formula C14H8F3N5O2S2 and a molecular weight of 399.38 g/mol. Its IUPAC name is 5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
PubChem CID71771034
Molecular FormulaC14H8F3N5O2S2
Molecular Weight399.38 g/mol
Exact Mass399.01
IUPAC Name5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1C(F)(F)F
InChIInChI=1S/C14H8F3N5O2S2/c15-14(16,17)10-5-9(2-1-8(10)6-18)22-7-11(20-21-22)12-3-4-13(25-12)26(19,23)24/h1-5,7H,(H2,19,23,24)
InChIKeyRBPMGTXZIWMAFA-UHFFFAOYSA-N
XLogP2.53
TPSA114.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-Naphthalen-1-Yl-1,2,3-Triazol-4-Yl)thiophene-2-Sulfonamide
CID 71770913
5-[1-(4-Methylphenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide
CID 71770791
5-[1-(3-Cyanophenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide
CID 71770916
5-(1-Phenyltriazol-4-yl)thiophene-2-sulfonamide
CID 71770789
5-[1-(3-Methylphenyl)triazol-4-yl]thiophene-2-sulfonamide
CID 71770790
5-[1-(4-Tert-butylphenyl)triazol-4-yl]thiophene-2-sulfonamide
CID 71770911
5-[1-[4-(Trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
CID 71770914
4-(4-Thiophen-3-yltriazol-1-yl)benzonitrile
CID 135038925
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 8844346
5-methyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 35974906
5-[1-[3-(Trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide
CID 102444449

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide (CID 71771034) is 5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide is N#Cc1ccc(-n2cc(-c3ccc(S(N)(=O)=O)s3)nn2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is RBPMGTXZIWMAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N5O2S2/c15-14(16,17)10-5-9(2-1-8(10)6-18)22-7-11(20-21-22)12-3-4-13(25-12)26(19,23)24/h1-5,7H,(H2,19,23,24).
What are the key properties of 5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide?
5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 399.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-cyano-3-(trifluoromethyl)phenyl]triazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71771034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).