5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide

C14H14N4O2S2 — CID 60532352

IUPAC5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nncn2C)s1
InChIInChI=1S/C14H14N4O2S2/c1-10-7-8-13(21-10)22(19,20)17-12-6-4-3-5-11(12)14-16-15-9-18(14)2/h3-9,17H,1-2H3
InChIKeyJNRDJPOSLBTEBE-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.65
Rot. Bonds4

About 5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide

5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 60532352) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide
PubChem CID60532352
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nncn2C)s1
InChIInChI=1S/C14H14N4O2S2/c1-10-7-8-13(21-10)22(19,20)17-12-6-4-3-5-11(12)14-16-15-9-18(14)2/h3-9,17H,1-2H3
InChIKeyJNRDJPOSLBTEBE-UHFFFAOYSA-N
XLogP2.65
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 47062898
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propylbenzenesulfonamide
CID 47062910
N-(2-aminophenyl)-5-methylthiophene-2-sulfonamide
CID 28783373
2-hydroxy-4-methyl-5-[[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]sulfamoyl]benzoic acid
CID 55767230
4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide
CID 60579200
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 52699604
N-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-5-methylthiophene-2-sulfonamide
CID 138743502
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
N-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)-5-methylthiophene-2-sulfonamide
CID 110735464
5-methyl-N-(2-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 110727191
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-[(2R)-oxolan-2-yl]ethanesulfonamide
CID 95975753
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014344

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide (CID 60532352) is 5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nncn2C)s1.
What is the InChIKey of 5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is JNRDJPOSLBTEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-10-7-8-13(21-10)22(19,20)17-12-6-4-3-5-11(12)14-16-15-9-18(14)2/h3-9,17H,1-2H3.
What are the key properties of 5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide?
5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 334.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 60532352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).