N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide

C14H13N3O2S — CID 2091314

IUPACN-(1H-indazol-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C14H13N3O2S/c1-10-2-6-13(7-3-10)20(18,19)17-12-5-4-11-9-15-16-14(11)8-12/h2-9,17H,1H3,(H,15,16)
InChIKeyFXJCEODYVRXNEC-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.67
Rot. Bonds3

About N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide

N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide (PubChem CID 2091314) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-methylbenzenesulfonamide
PubChem CID2091314
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(1H-indazol-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C14H13N3O2S/c1-10-2-6-13(7-3-10)20(18,19)17-12-5-4-11-9-15-16-14(11)8-12/h2-9,17H,1H3,(H,15,16)
InChIKeyFXJCEODYVRXNEC-UHFFFAOYSA-N
XLogP2.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide (CID 2091314) is N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is FXJCEODYVRXNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-2-6-13(7-3-10)20(18,19)17-12-5-4-11-9-15-16-14(11)8-12/h2-9,17H,1H3,(H,15,16).
What are the key properties of N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide?
N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2091314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).