2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

C9H9FN4O2S — CID 62945149

IUPAC2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C9H9FN4O2S/c1-6-2-3-7(10)8(4-6)17(15,16)14-9-11-5-12-13-9/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyHXJWNKSTTFNKAP-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.05
Rot. Bonds3

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

2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 62945149) has the molecular formula C9H9FN4O2S and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID62945149
Molecular FormulaC9H9FN4O2S
Molecular Weight256.26 g/mol
Exact Mass256.04
IUPAC Name2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C9H9FN4O2S/c1-6-2-3-7(10)8(4-6)17(15,16)14-9-11-5-12-13-9/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyHXJWNKSTTFNKAP-UHFFFAOYSA-N
XLogP1.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55153733
2-fluoro-5-methylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944986
2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide
CID 63562958
4-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 116527788
2,4-difluoro-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62946304
3,5-difluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55152036
2-fluoro-3-methyl-5-(1H-1,2,4-triazol-5-ylsulfamoyl)benzoic acid
CID 81434979
2,4-dimethyl-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 122147055
3-fluoro-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 82854963
4-bromo-2-chloro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55153923
5-chloro-2-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 66486115
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 62945149) is 2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is HXJWNKSTTFNKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2S/c1-6-2-3-7(10)8(4-6)17(15,16)14-9-11-5-12-13-9/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of 2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 256.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 62945149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).