N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide

C16H15N5O3S — CID 51255621

IUPACN-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C16H15N5O3S/c1-11-7-8-12(9-15(11)25(17,23)24)19-16(22)14-10-18-21(20-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,22)(H2,17,23,24)
InChIKeyKIOZEMCAKZUMRP-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.48
Rot. Bonds4

About N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide

N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide (PubChem CID 51255621) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide
PubChem CID51255621
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C16H15N5O3S/c1-11-7-8-12(9-15(11)25(17,23)24)19-16(22)14-10-18-21(20-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,22)(H2,17,23,24)
InChIKeyKIOZEMCAKZUMRP-UHFFFAOYSA-N
XLogP1.48
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
CID 110702383
N-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenyltriazole-4-carboxamide
CID 86807567
N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 24661146
N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
CID 110702378
methyl 2-chloro-5-[(2-phenyltriazole-4-carbonyl)amino]benzoate
CID 134003458
N-(4-methyl-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 47367376
N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
CID 46421897
N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide
CID 47026452
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyltriazole-4-carboxamide
CID 46416423
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenyltriazole-4-carboxamide
CID 122325694

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide (CID 51255621) is N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is KIOZEMCAKZUMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-11-7-8-12(9-15(11)25(17,23)24)19-16(22)14-10-18-21(20-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,22)(H2,17,23,24).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide?
N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 51255621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).