N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide

C14H13N5O2S2 — CID 6463346

IUPACN-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C14H13N5O2S2/c1-22-13-6-2-11(3-7-13)16-23(20,21)14-8-4-12(5-9-14)19-10-15-17-18-19/h2-10,16H,1H3
InChIKeyPCWYXMXFJBTACH-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.18
Rot. Bonds5

About N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide

N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 6463346) has the molecular formula C14H13N5O2S2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID6463346
Molecular FormulaC14H13N5O2S2
Molecular Weight347.43 g/mol
Exact Mass347.05
IUPAC NameN-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C14H13N5O2S2/c1-22-13-6-2-11(3-7-13)16-23(20,21)14-8-4-12(5-9-14)19-10-15-17-18-19/h2-10,16H,1H3
InChIKeyPCWYXMXFJBTACH-UHFFFAOYSA-N
XLogP2.18
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide (CID 6463346) is N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide is CSc1ccc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is PCWYXMXFJBTACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S2/c1-22-13-6-2-11(3-7-13)16-23(20,21)14-8-4-12(5-9-14)19-10-15-17-18-19/h2-10,16H,1H3.
What are the key properties of N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide?
N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 347.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 6463346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).