3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid

C14H18N4O4S2 — CID 131943415

IUPAC3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C14H18N4O4S2/c19-14(20)13-11(6-7-23-13)24(21,22)16-8-12-17-15-9-18(12)10-4-2-1-3-5-10/h6-7,9-10,16H,1-5,8H2,(H,19,20)
InChIKeyWJWQCUZLQVRWSC-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.02
Rot. Bonds6

About 3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid

3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 131943415) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID131943415
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC Name3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCc1nncn1C1CCCCC1
InChIInChI=1S/C14H18N4O4S2/c19-14(20)13-11(6-7-23-13)24(21,22)16-8-12-17-15-9-18(12)10-4-2-1-3-5-10/h6-7,9-10,16H,1-5,8H2,(H,19,20)
InChIKeyWJWQCUZLQVRWSC-UHFFFAOYSA-N
XLogP2.02
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 131943415) is 3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NCc1nncn1C1CCCCC1.
What is the InChIKey of 3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is WJWQCUZLQVRWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c19-14(20)13-11(6-7-23-13)24(21,22)16-8-12-17-15-9-18(12)10-4-2-1-3-5-10/h6-7,9-10,16H,1-5,8H2,(H,19,20).
What are the key properties of 3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 370.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 131943415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).