4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide

C14H12FN5O2S — CID 46958763

IUPAC4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2cccnc2)n[nH]1)c1ccc(F)cc1
InChIInChI=1S/C14H12FN5O2S/c15-11-3-5-12(6-4-11)23(21,22)17-9-13-18-14(20-19-13)10-2-1-7-16-8-10/h1-8,17H,9H2,(H,18,19,20)
InChIKeyAUHFSPGJXSZCBC-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.48
Rot. Bonds5

About 4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide

4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide (PubChem CID 46958763) has the molecular formula C14H12FN5O2S and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide
PubChem CID46958763
Molecular FormulaC14H12FN5O2S
Molecular Weight333.35 g/mol
Exact Mass333.07
IUPAC Name4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2cccnc2)n[nH]1)c1ccc(F)cc1
InChIInChI=1S/C14H12FN5O2S/c15-11-3-5-12(6-4-11)23(21,22)17-9-13-18-14(20-19-13)10-2-1-7-16-8-10/h1-8,17H,9H2,(H,18,19,20)
InChIKeyAUHFSPGJXSZCBC-UHFFFAOYSA-N
XLogP1.48
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 73440586
3-[5-(2-bromoethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 123335634
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 53090258
3-bromo-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 166322298
N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-1-sulfonamide
CID 56789908
2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 112993090
N-(2-chlorophenyl)-2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 39860357
N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 91625946
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 79530004
(2S)-2-(azepan-1-yl)-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97218734
2-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2,4-triazol-3-amine
CID 3652908
N-benzyl-4-fluorobenzenesulfonamide
CID 835474

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide (CID 46958763) is 4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1nc(-c2cccnc2)n[nH]1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is AUHFSPGJXSZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2S/c15-11-3-5-12(6-4-11)23(21,22)17-9-13-18-14(20-19-13)10-2-1-7-16-8-10/h1-8,17H,9H2,(H,18,19,20).
What are the key properties of 4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 333.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 46958763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).