4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide

C13H11N7O3S — CID 118256777

IUPAC4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H11N7O3S/c14-11(21)8-3-1-7(2-4-8)9-5-6-16-13(24(15,22)23)10(9)12-17-19-20-18-12/h1-6H,(H2,14,21)(H2,15,22,23)(H,17,18,19,20)
InChIKeyIRHXAIWJOUJNSU-UHFFFAOYSA-N
MW345.34 g/mol
LogP-0.32
Rot. Bonds4

About 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide

4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide (PubChem CID 118256777) has the molecular formula C13H11N7O3S and a molecular weight of 345.34 g/mol. Its IUPAC name is 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
PubChem CID118256777
Molecular FormulaC13H11N7O3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Name4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H11N7O3S/c14-11(21)8-3-1-7(2-4-8)9-5-6-16-13(24(15,22)23)10(9)12-17-19-20-18-12/h1-6H,(H2,14,21)(H2,15,22,23)(H,17,18,19,20)
InChIKeyIRHXAIWJOUJNSU-UHFFFAOYSA-N
XLogP-0.32
TPSA170.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]pyridin-2-amine
CID 122694237
6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266420
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline
CID 122694184
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
3-[4-(aminomethyl)phenyl]-6-bromo-2-(2H-tetrazol-5-yl)benzenesulfonamide;ethane
CID 144893208
4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine
CID 122694161
4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
CID 122694234
4-[2-(2-aminoethylamino)-4-pyridinyl]-1-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135311300
5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide
CID 118257448
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257012
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069

Frequently Asked Questions

What is the IUPAC name of 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The IUPAC name of 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide (CID 118256777) is 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The canonical SMILES for 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide is NC(=O)c1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
The InChIKey is IRHXAIWJOUJNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O3S/c14-11(21)8-3-1-7(2-4-8)9-5-6-16-13(24(15,22)23)10(9)12-17-19-20-18-12/h1-6H,(H2,14,21)(H2,15,22,23)(H,17,18,19,20).
What are the key properties of 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide?
4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide has a molecular weight of 345.34 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide is sourced from PubChem (CID 118256777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).