N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide

C15H15N3O2S — CID 2091318

IUPACN-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C15H15N3O2S/c1-10-3-4-11(2)15(7-10)21(19,20)18-13-6-5-12-9-16-17-14(12)8-13/h3-9,18H,1-2H3,(H,16,17)
InChIKeyVUHYSCDSOPSSAC-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.98
Rot. Bonds3

About N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide

N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 2091318) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID2091318
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C15H15N3O2S/c1-10-3-4-11(2)15(7-10)21(19,20)18-13-6-5-12-9-16-17-14(12)8-13/h3-9,18H,1-2H3,(H,16,17)
InChIKeyVUHYSCDSOPSSAC-UHFFFAOYSA-N
XLogP2.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.98
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)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide (CID 2091318) is N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is VUHYSCDSOPSSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-3-4-11(2)15(7-10)21(19,20)18-13-6-5-12-9-16-17-14(12)8-13/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide?
N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.98, 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)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2091318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).