N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide

C16H17N3O3S — CID 53356004

IUPACN-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2cn[nH]c12
InChIInChI=1S/C16H17N3O3S/c1-3-22-15-9-8-14(13-10-17-18-16(13)15)19-23(20,21)12-6-4-11(2)5-7-12/h4-10,19H,3H2,1-2H3,(H,17,18)
InChIKeyXXNPWKKIUIBPGV-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.07
Rot. Bonds5

About N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide

N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide (PubChem CID 53356004) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide
PubChem CID53356004
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2cn[nH]c12
InChIInChI=1S/C16H17N3O3S/c1-3-22-15-9-8-14(13-10-17-18-16(13)15)19-23(20,21)12-6-4-11(2)5-7-12/h4-10,19H,3H2,1-2H3,(H,17,18)
InChIKeyXXNPWKKIUIBPGV-UHFFFAOYSA-N
XLogP3.07
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-phenylmethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 68230037
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
N-(1H-indazol-6-yl)-2-methoxybenzenesulfonamide
CID 2078537
4-ethoxy-N-1H-indazol-6-yl-2,5-dimethylbenzenesulfonamide
CID 2237144
N-(3-chloro-7-ethoxy-2H-indazol-4-yl)-4-methoxybenzenesulfonamide
CID 71454169
3-[5-ethoxy-6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 71682299
N-(3-bromo-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356005
N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide
CID 71454170
N-(4-ethoxy-1H-indazol-7-yl)-4-methylbenzenesulfonamide
CID 71454207
7-Ethoxy-1H-indazole
CID 44270467
7-(Benzyloxy)-1H-indazole
CID 44270532
N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide
CID 155521401

Frequently Asked Questions

What is the IUPAC name of N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide (CID 53356004) is N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2cn[nH]c12.
What is the InChIKey of N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is XXNPWKKIUIBPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-3-22-15-9-8-14(13-10-17-18-16(13)15)19-23(20,21)12-6-4-11(2)5-7-12/h4-10,19H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide?
N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 53356004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).