2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

C15H12F2N4O2S2 — CID 60621430

IUPAC2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
SMILESCn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C15H12F2N4O2S2/c1-21-9-18-19-15(21)24-12-7-3-2-6-11(12)20-25(22,23)13-8-4-5-10(16)14(13)17/h2-9,20H,1H3
InChIKeyQJSYUJNSKONUKI-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.05
Rot. Bonds5

About 2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide (PubChem CID 60621430) has the molecular formula C15H12F2N4O2S2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
PubChem CID60621430
Molecular FormulaC15H12F2N4O2S2
Molecular Weight382.42 g/mol
Exact Mass382.04
IUPAC Name2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
SMILESCn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C15H12F2N4O2S2/c1-21-9-18-19-15(21)24-12-7-3-2-6-11(12)20-25(22,23)13-8-4-5-10(16)14(13)17/h2-9,20H,1H3
InChIKeyQJSYUJNSKONUKI-UHFFFAOYSA-N
XLogP3.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide (CID 60621430) is 2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide is Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The InChIKey is QJSYUJNSKONUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2S2/c1-21-9-18-19-15(21)24-12-7-3-2-6-11(12)20-25(22,23)13-8-4-5-10(16)14(13)17/h2-9,20H,1H3.
What are the key properties of 2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide has a molecular weight of 382.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 60621430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).