2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide

C15H14FN3O4S — CID 60578958

IUPAC2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)Nc2cccc3[nH]ncc23)cc1OC
InChIInChI=1S/C15H14FN3O4S/c1-22-13-6-10(16)15(7-14(13)23-2)24(20,21)19-12-5-3-4-11-9(12)8-17-18-11/h3-8,19H,1-2H3,(H,17,18)
InChIKeyJWMSCCAGDMUKEL-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.52
Rot. Bonds5

About 2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide

2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide (PubChem CID 60578958) has the molecular formula C15H14FN3O4S and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide
PubChem CID60578958
Molecular FormulaC15H14FN3O4S
Molecular Weight351.36 g/mol
Exact Mass351.07
IUPAC Name2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)Nc2cccc3[nH]ncc23)cc1OC
InChIInChI=1S/C15H14FN3O4S/c1-22-13-6-10(16)15(7-14(13)23-2)24(20,21)19-12-5-3-4-11-9(12)8-17-18-11/h3-8,19H,1-2H3,(H,17,18)
InChIKeyJWMSCCAGDMUKEL-UHFFFAOYSA-N
XLogP2.52
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide (CID 60578958) is 2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide is COc1cc(F)c(S(=O)(=O)Nc2cccc3[nH]ncc23)cc1OC.
What is the InChIKey of 2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide?
The InChIKey is JWMSCCAGDMUKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4S/c1-22-13-6-10(16)15(7-14(13)23-2)24(20,21)19-12-5-3-4-11-9(12)8-17-18-11/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide?
2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide has a molecular weight of 351.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1H-indazol-4-yl)-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 60578958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).