N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide

C15H13N5O3S — CID 71791318

IUPACN-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H13N5O3S/c1-24(22,23)13-9-7-11(8-10-13)16-15(21)14-17-19-20(18-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,21)
InChIKeyCUCQVHSUQPRAGS-UHFFFAOYSA-N
MW343.37 g/mol
LogP1.32
Rot. Bonds4

About N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide

N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide (PubChem CID 71791318) has the molecular formula C15H13N5O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide
PubChem CID71791318
Molecular FormulaC15H13N5O3S
Molecular Weight343.37 g/mol
Exact Mass343.07
IUPAC NameN-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H13N5O3S/c1-24(22,23)13-9-7-11(8-10-13)16-15(21)14-17-19-20(18-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,21)
InChIKeyCUCQVHSUQPRAGS-UHFFFAOYSA-N
XLogP1.32
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide
CID 71791280
N-methyl-2-phenyltetrazole-5-carboxamide
CID 71791263
N-(4-methylsulfonylphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55504619
N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
CID 71791443
2-phenyl-N-propyltetrazole-5-carboxamide
CID 71791264
2-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]-N,N-dimethyltetrazole-5-carboxamide
CID 71792253
4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide
CID 146080206
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
CID 60605662
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)tetrazole-5-carboxamide
CID 71791342

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide (CID 71791318) is N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide?
The InChIKey is CUCQVHSUQPRAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S/c1-24(22,23)13-9-7-11(8-10-13)16-15(21)14-17-19-20(18-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,21).
What are the key properties of N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide?
N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide is sourced from PubChem (CID 71791318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).