N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide

C16H17N3O4S — CID 5301628

IUPACN-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc3cn[nH]c23)c(OC)cc1C
InChIInChI=1S/C16H17N3O4S/c1-10-7-14(23-3)15(8-13(10)22-2)24(20,21)19-12-6-4-5-11-9-17-18-16(11)12/h4-9,19H,1-3H3,(H,17,18)
InChIKeyNEXGNDCBHWHOGU-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.69
Rot. Bonds5

About N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide

N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide (PubChem CID 5301628) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide
PubChem CID5301628
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc3cn[nH]c23)c(OC)cc1C
InChIInChI=1S/C16H17N3O4S/c1-10-7-14(23-3)15(8-13(10)22-2)24(20,21)19-12-6-4-5-11-9-17-18-16(11)12/h4-9,19H,1-3H3,(H,17,18)
InChIKeyNEXGNDCBHWHOGU-UHFFFAOYSA-N
XLogP2.69
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide?
The IUPAC name of N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide (CID 5301628) is N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide is COc1cc(S(=O)(=O)Nc2cccc3cn[nH]c23)c(OC)cc1C.
What is the InChIKey of N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide?
The InChIKey is NEXGNDCBHWHOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10-7-14(23-3)15(8-13(10)22-2)24(20,21)19-12-6-4-5-11-9-17-18-16(11)12/h4-9,19H,1-3H3,(H,17,18).
What are the key properties of N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide?
N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-yl)-2,5-dimethoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 5301628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).