4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide

C17H17N3O2S — CID 71457758

IUPAC4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide
SMILESC=CCn1cc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2n1
InChIInChI=1S/C17H17N3O2S/c1-3-10-20-12-14-6-7-15(11-17(14)18-20)19-23(21,22)16-8-4-13(2)5-9-16/h3-9,11-12,19H,1,10H2,2H3
InChIKeyZFXFQDNGTQWRAK-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.33
Rot. Bonds5

About 4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide

4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide (PubChem CID 71457758) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide
PubChem CID71457758
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide
SMILESC=CCn1cc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2n1
InChIInChI=1S/C17H17N3O2S/c1-3-10-20-12-14-6-7-15(11-17(14)18-20)19-23(21,22)16-8-4-13(2)5-9-16/h3-9,11-12,19H,1,10H2,2H3
InChIKeyZFXFQDNGTQWRAK-UHFFFAOYSA-N
XLogP3.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide (CID 71457758) is 4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide is C=CCn1cc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2n1.
What is the InChIKey of 4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide?
The InChIKey is ZFXFQDNGTQWRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-10-20-12-14-6-7-15(11-17(14)18-20)19-23(21,22)16-8-4-13(2)5-9-16/h3-9,11-12,19H,1,10H2,2H3.
What are the key properties of 4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide?
4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-prop-2-enylindazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 71457758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).