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

C10H11FN4O2S — CID 47158420

IUPAC4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN4O2S/c1-15-7-12-14-10(15)6-13-18(16,17)9-4-2-8(11)3-5-9/h2-5,7,13H,6H2,1H3
InChIKeyIIVBLAPHCIJGPL-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.43
Rot. Bonds4

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

4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide (PubChem CID 47158420) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
PubChem CID47158420
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
SMILESCn1cnnc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN4O2S/c1-15-7-12-14-10(15)6-13-18(16,17)9-4-2-8(11)3-5-9/h2-5,7,13H,6H2,1H3
InChIKeyIIVBLAPHCIJGPL-UHFFFAOYSA-N
XLogP0.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Fluoro-N-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)-benzenesulfonamide
CID 3232064
N-[2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-ethyl]-benzenesulfonamide
CID 6499847
1-(3,4-Difluorobenzenesulfonyl)-4-(3-methyl-4H-1,2,4-triazol-4-YL)piperidine
CID 91914714
1-(4-Fluorobenzenesulfonyl)-4-[(4-methyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 91919494
N-{[5-(sec-butylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-fluorobenzenesulfonamide
CID 3774819
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-N-methylbenzenesulfonamide
CID 71978421
2-(4-Ethyl-4H-1,2,4-triazol-3-YL)-1-(2-fluorobenzenesulfonyl)piperidine
CID 87052122
2-(4-Ethyl-4H-1,2,4-triazol-3-YL)-1-(3-fluorobenzenesulfonyl)piperidine
CID 87052124
4-(3-Ethyl-4H-1,2,4-triazol-4-YL)-1-(4-fluorobenzenesulfonyl)piperidine
CID 91905014
1-(3,5-Difluorobenzenesulfonyl)-4-(3-ethyl-4H-1,2,4-triazol-4-YL)piperidine
CID 91905017
4-(3-Ethyl-4H-1,2,4-triazol-4-YL)-1-(3-fluorobenzenesulfonyl)piperidine
CID 91905024
1-(2-Fluorobenzenesulfonyl)-4-(3-methyl-4H-1,2,4-triazol-4-YL)piperidine
CID 91905055

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide (CID 47158420) is 4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide is Cn1cnnc1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is IIVBLAPHCIJGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-15-7-12-14-10(15)6-13-18(16,17)9-4-2-8(11)3-5-9/h2-5,7,13H,6H2,1H3.
What are the key properties of 4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47158420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).