2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide

C10H10F2N4O3S — CID 107044380

IUPAC2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide
SMILESCn1cc(COc2ccc(S(N)(=O)=O)c(F)c2F)nn1
InChIInChI=1S/C10H10F2N4O3S/c1-16-4-6(14-15-16)5-19-7-2-3-8(20(13,17)18)10(12)9(7)11/h2-4H,5H2,1H3,(H2,13,17,18)
InChIKeySQUDQDXWRXRJRN-UHFFFAOYSA-N
MW304.28 g/mol
LogP0.32
Rot. Bonds4

About 2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide

2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide (PubChem CID 107044380) has the molecular formula C10H10F2N4O3S and a molecular weight of 304.28 g/mol. Its IUPAC name is 2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide
PubChem CID107044380
Molecular FormulaC10H10F2N4O3S
Molecular Weight304.28 g/mol
Exact Mass304.04
IUPAC Name2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide
SMILESCn1cc(COc2ccc(S(N)(=O)=O)c(F)c2F)nn1
InChIInChI=1S/C10H10F2N4O3S/c1-16-4-6(14-15-16)5-19-7-2-3-8(20(13,17)18)10(12)9(7)11/h2-4H,5H2,1H3,(H2,13,17,18)
InChIKeySQUDQDXWRXRJRN-UHFFFAOYSA-N
XLogP0.32
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-difluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870156
2-[(1-methyltriazol-4-yl)methoxy]-5-sulfamoylbenzoic acid
CID 107044349
2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915010
3-fluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenecarbothioamide
CID 107665921
4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
CID 103866242
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide
CID 82915236
4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170
4-[(5-fluoro-2-nitrophenoxy)methyl]-1-methyltriazole
CID 103866197
4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide
CID 63036597
[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 107041260

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide?
The IUPAC name of 2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide (CID 107044380) is 2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide is Cn1cc(COc2ccc(S(N)(=O)=O)c(F)c2F)nn1.
What is the InChIKey of 2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide?
The InChIKey is SQUDQDXWRXRJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O3S/c1-16-4-6(14-15-16)5-19-7-2-3-8(20(13,17)18)10(12)9(7)11/h2-4H,5H2,1H3,(H2,13,17,18).
What are the key properties of 2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide?
2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide has a molecular weight of 304.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide is sourced from PubChem (CID 107044380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).