N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide

C15H15N3O2S — CID 2078539

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

About N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide

N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 2078539) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID2078539
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c(C)c1
InChIInChI=1S/C15H15N3O2S/c1-10-3-6-15(11(2)7-10)21(19,20)18-13-5-4-12-9-16-17-14(12)8-13/h3-9,18H,1-2H3,(H,16,17)
InChIKeyLCMNOCWPNUWMGP-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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Related Compounds

N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
N-(1H-indazol-6-yl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110731214
N-(1H-indazol-6-yl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759567
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
2-fluoro-N-(1H-indazol-6-yl)benzenesulfonamide
CID 2445035
N-(1H-indazol-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 97242161
N-(1H-indazol-6-yl)sulfamoyl chloride
CID 84760699
N-(1H-indazol-6-yl)propane-2-sulfonamide
CID 25044387
N-(1H-indazol-6-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008102
N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2445030
2,5-dichloro-N-(1H-indazol-6-yl)-4-methoxybenzenesulfonamide
CID 2242342
5-chloro-N-(1H-indazol-6-yl)thiophene-2-sulfonamide
CID 2444866

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide (CID 2078539) is N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c(C)c1.
What is the InChIKey of N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is LCMNOCWPNUWMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-3-6-15(11(2)7-10)21(19,20)18-13-5-4-12-9-16-17-14(12)8-13/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide?
N-(1H-indazol-6-yl)-2,4-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)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2078539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).