N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide

C17H19N3O2S — CID 60579360

IUPACN-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cccc3[nH]ncc23)c1C
InChIInChI=1S/C17H19N3O2S/c1-10-8-11(2)13(4)17(12(10)3)23(21,22)20-16-7-5-6-15-14(16)9-18-19-15/h5-9,20H,1-4H3,(H,18,19)
InChIKeyQEBBLBKDODBPQS-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.60
Rot. Bonds3

About N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide

N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 60579360) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID60579360
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cccc3[nH]ncc23)c1C
InChIInChI=1S/C17H19N3O2S/c1-10-8-11(2)13(4)17(12(10)3)23(21,22)20-16-7-5-6-15-14(16)9-18-19-15/h5-9,20H,1-4H3,(H,18,19)
InChIKeyQEBBLBKDODBPQS-UHFFFAOYSA-N
XLogP3.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 47267980
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
2-amino-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61113813
2,4-dibromo-N-(1H-indazol-4-yl)benzenesulfonamide
CID 61216548
2-chloro-N-(1H-indazol-4-yl)benzenesulfonamide
CID 60524877
2,5-dichloro-N-(1H-indazol-4-yl)thiophene-3-sulfonamide
CID 60579057
4-(1H-indazol-4-ylsulfamoyl)benzamide
CID 60524919
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
3-amino-1-ethyl-N-(1H-indazol-4-yl)pyrazole-4-sulfonamide
CID 61112113
N-(1H-indazol-4-yl)piperazine-1-sulfonamide
CID 61254561
N-(1H-indazol-4-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 60579174
2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202725

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 60579360) is N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc3[nH]ncc23)c1C.
What is the InChIKey of N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is QEBBLBKDODBPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10-8-11(2)13(4)17(12(10)3)23(21,22)20-16-7-5-6-15-14(16)9-18-19-15/h5-9,20H,1-4H3,(H,18,19).
What are the key properties of N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 60579360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).