N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide

C14H10FN5O3S — CID 100645671

IUPACN-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NS(=O)(=O)c1ncccc1F)c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C14H10FN5O3S/c15-11-5-2-6-16-14(11)24(22,23)20-13(21)10-4-1-3-9(7-10)12-17-8-18-19-12/h1-8H,(H,20,21)(H,17,18,19)
InChIKeyLHIXXUCZLZUIMF-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.12
Rot. Bonds4

About N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide

N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 100645671) has the molecular formula C14H10FN5O3S and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID100645671
Molecular FormulaC14H10FN5O3S
Molecular Weight347.33 g/mol
Exact Mass347.05
IUPAC NameN-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NS(=O)(=O)c1ncccc1F)c1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C14H10FN5O3S/c15-11-5-2-6-16-14(11)24(22,23)20-13(21)10-4-1-3-9(7-10)12-17-8-18-19-12/h1-8H,(H,20,21)(H,17,18,19)
InChIKeyLHIXXUCZLZUIMF-UHFFFAOYSA-N
XLogP1.12
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CID 935059
N'-(benzenesulfonyl)-2-fluoro-5-pyrimidin-2-ylbenzohydrazide
CID 135298582
N'-(2-fluorophenyl)sulfonyl-3-pyrimidin-2-ylbenzohydrazide
CID 135298635
N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide
CID 135298765
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118256777
1-(4-fluorophenyl)-2-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
CID 1147041
3-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione
CID 69139472
1-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 156496579
4-fluoro-N'-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 3977088
2-fluoro-N'-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 7895046
2-fluoro-N'-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide
CID 8110368
N'-[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 8152047

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide (CID 100645671) is N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide is O=C(NS(=O)(=O)c1ncccc1F)c1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is LHIXXUCZLZUIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O3S/c15-11-5-2-6-16-14(11)24(22,23)20-13(21)10-4-1-3-9(7-10)12-17-8-18-19-12/h1-8H,(H,20,21)(H,17,18,19).
What are the key properties of N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide?
N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 347.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)sulfonyl]-3-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 100645671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).