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

C18H21N3O2S — CID 17446157

IUPACN-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c(C)c1C
InChIInChI=1S/C18H21N3O2S/c1-10-11(2)13(4)18(14(5)12(10)3)24(22,23)21-16-7-6-15-9-19-20-17(15)8-16/h6-9,21H,1-5H3,(H,19,20)
InChIKeyKQHPLGXRCHJISU-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.91
Rot. Bonds3

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

N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 17446157) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID17446157
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c(C)c1C
InChIInChI=1S/C18H21N3O2S/c1-10-11(2)13(4)18(14(5)12(10)3)24(22,23)21-16-7-6-15-9-19-20-17(15)8-16/h6-9,21H,1-5H3,(H,19,20)
InChIKeyKQHPLGXRCHJISU-UHFFFAOYSA-N
XLogP3.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-6-yl)benzenesulfonamide
CID 2444871
4-Amino-N-1H-indazol-6-ylbenzenesulfonamide
CID 83696
N-(1H-indazol-6-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 8002115
N-[(2S)-1-(1H-indazol-4-ylamino)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 57651604
5-(dimethylamino)-N-(1H-indazol-6-yl)naphthalene-1-sulfonamide
CID 3011184
N-(1H-indazol-6-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16280260
6-methylsulfonyl-4-phenyl-1H-indazole
CID 127046586
N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
CID 2078539
N-(1H-indazol-6-yl)-4-methylbenzene-1-sulfonamide
CID 2091314
N-(1H-indazol-6-yl)-2,5-dimethylbenzenesulfonamide
CID 2091318
N-(1H-indazol-6-yl)-3,4-dimethylbenzenesulfonamide
CID 2517424
3-(5-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 53476530

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 17446157) is N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c(C)c1C.
What is the InChIKey of N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is KQHPLGXRCHJISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-10-11(2)13(4)18(14(5)12(10)3)24(22,23)21-16-7-6-15-9-19-20-17(15)8-16/h6-9,21H,1-5H3,(H,19,20).
What are the key properties of N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.91, 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)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 17446157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).