3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide

C14H11FN4O2S — CID 35367858

IUPAC3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)c1cccc(F)c1
InChIInChI=1S/C14H11FN4O2S/c15-11-4-3-5-12(8-11)22(20,21)18-13-6-1-2-7-14(13)19-10-16-9-17-19/h1-10,18H
InChIKeyAVMDRAAPAZDXPL-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.21
Rot. Bonds4

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

3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 35367858) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
PubChem CID35367858
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC Name3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)c1cccc(F)c1
InChIInChI=1S/C14H11FN4O2S/c15-11-4-3-5-12(8-11)22(20,21)18-13-6-1-2-7-14(13)19-10-16-9-17-19/h1-10,18H
InChIKeyAVMDRAAPAZDXPL-UHFFFAOYSA-N
XLogP2.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35368037
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367970
N-[2-(1,2,4-triazol-1-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692481
2,5-dichloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-3-sulfonamide
CID 35368048
5-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-sulfonamide
CID 35367955
1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 47852920
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide
CID 61253900
4-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]butane-1-sulfonamide
CID 116815655
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
3-fluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 75453407
N-[2-(1,2,4-triazol-1-yl)phenyl]formamide
CID 64991070

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide (CID 35367858) is 3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1-n1cncn1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is AVMDRAAPAZDXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c15-11-4-3-5-12(8-11)22(20,21)18-13-6-1-2-7-14(13)19-10-16-9-17-19/h1-10,18H.
What are the key properties of 3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide?
3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 318.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 35367858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).