5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide

C16H14FN5O3S — CID 2348802

IUPAC5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C16H14FN5O3S/c1-10-2-7-13(8-14(10)15(23)20-16-18-9-19-21-16)26(24,25)22-12-5-3-11(17)4-6-12/h2-9,22H,1H3,(H2,18,19,20,21,23)
InChIKeyIWWFJYDXLKWPRA-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.31
Rot. Bonds5

About 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 2348802) has the molecular formula C16H14FN5O3S and a molecular weight of 375.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID2348802
Molecular FormulaC16H14FN5O3S
Molecular Weight375.39 g/mol
Exact Mass375.08
IUPAC Name5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C16H14FN5O3S/c1-10-2-7-13(8-14(10)15(23)20-16-18-9-19-21-16)26(24,25)22-12-5-3-11(17)4-6-12/h2-9,22H,1H3,(H2,18,19,20,21,23)
InChIKeyIWWFJYDXLKWPRA-UHFFFAOYSA-N
XLogP2.31
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55348347
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(8-methylquinolin-5-yl)benzamide
CID 38266314
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010401
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-piperidin-4-ylbenzamide
CID 119386331
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
N-(4-fluorophenyl)-4-methyl-3-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35152346
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
2-fluoro-3-methyl-5-(1H-1,2,4-triazol-5-ylsulfamoyl)benzoic acid
CID 81434979

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 2348802) is 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is IWWFJYDXLKWPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3S/c1-10-2-7-13(8-14(10)15(23)20-16-18-9-19-21-16)26(24,25)22-12-5-3-11(17)4-6-12/h2-9,22H,1H3,(H2,18,19,20,21,23).
What are the key properties of 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 375.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 2348802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).