4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide

C15H15N3O2S — CID 71461353

IUPAC4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c2cnn3C)cc1
InChIInChI=1S/C15H15N3O2S/c1-11-6-8-12(9-7-11)21(19,20)17-14-4-3-5-15-13(14)10-16-18(15)2/h3-10,17H,1-2H3
InChIKeyGVQOPFJDLGZWOS-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.68
Rot. Bonds3

About 4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide

4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide (PubChem CID 71461353) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide
PubChem CID71461353
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c2cnn3C)cc1
InChIInChI=1S/C15H15N3O2S/c1-11-6-8-12(9-7-11)21(19,20)17-14-4-3-5-15-13(14)10-16-18(15)2/h3-10,17H,1-2H3
InChIKeyGVQOPFJDLGZWOS-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide (CID 71461353) is 4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3c2cnn3C)cc1.
What is the InChIKey of 4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide?
The InChIKey is GVQOPFJDLGZWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-6-8-12(9-7-11)21(19,20)17-14-4-3-5-15-13(14)10-16-18(15)2/h3-10,17H,1-2H3.
What are the key properties of 4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide?
4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylindazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 71461353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).