2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide

C14H11F2N5O2S2 — CID 38771727

IUPAC2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCSc1nnnn1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C14H11F2N5O2S2/c1-24-14-17-19-20-21(14)11-4-2-3-10(8-11)18-25(22,23)13-7-9(15)5-6-12(13)16/h2-8,18H,1H3
InChIKeyCUYFZBCUGIJYIA-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.46
Rot. Bonds5

About 2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide

2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 38771727) has the molecular formula C14H11F2N5O2S2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID38771727
Molecular FormulaC14H11F2N5O2S2
Molecular Weight383.41 g/mol
Exact Mass383.03
IUPAC Name2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCSc1nnnn1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C14H11F2N5O2S2/c1-24-14-17-19-20-21(14)11-4-2-3-10(8-11)18-25(22,23)13-7-9(15)5-6-12(13)16/h2-8,18H,1H3
InChIKeyCUYFZBCUGIJYIA-UHFFFAOYSA-N
XLogP2.46
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide (CID 38771727) is 2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide is CSc1nnnn1-c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of 2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is CUYFZBCUGIJYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O2S2/c1-24-14-17-19-20-21(14)11-4-2-3-10(8-11)18-25(22,23)13-7-9(15)5-6-12(13)16/h2-8,18H,1H3.
What are the key properties of 2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 383.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 38771727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).