N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide

C15H13N5OS — CID 7465229

IUPACN-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H13N5OS/c1-22-14-5-3-2-4-13(14)17-15(21)11-6-8-12(9-7-11)20-10-16-18-19-20/h2-10H,1H3,(H,17,21)
InChIKeyKFYQTZZNZCOZIS-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.64
Rot. Bonds4

About N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide

N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 7465229) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide
PubChem CID7465229
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H13N5OS/c1-22-14-5-3-2-4-13(14)17-15(21)11-6-8-12(9-7-11)20-10-16-18-19-20/h2-10H,1H3,(H,17,21)
InChIKeyKFYQTZZNZCOZIS-UHFFFAOYSA-N
XLogP2.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
CID 31971288
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-[2-(piperidine-1-carbonyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 35276684
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
4-(methylamino)-N-(2-methylsulfanylphenyl)benzamide
CID 107643040
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30878039

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide (CID 7465229) is N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide is CSc1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is KFYQTZZNZCOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-22-14-5-3-2-4-13(14)17-15(21)11-6-8-12(9-7-11)20-10-16-18-19-20/h2-10H,1H3,(H,17,21).
What are the key properties of N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide?
N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 311.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 7465229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).