N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide

C16H15N3O4S — CID 31618688

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C16H15N3O4S/c1-2-24(22,23)10-7-8-14(20)13(9-10)17-16(21)15-11-5-3-4-6-12(11)18-19-15/h3-9,20H,2H2,1H3,(H,17,21)(H,18,19)
InChIKeyIUGAMYFFDZBFRY-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.31
Rot. Bonds4

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide (PubChem CID 31618688) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide
PubChem CID31618688
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2n[nH]c3ccccc23)c1
InChIInChI=1S/C16H15N3O4S/c1-2-24(22,23)10-7-8-14(20)13(9-10)17-16(21)15-11-5-3-4-6-12(11)18-19-15/h3-9,20H,2H2,1H3,(H,17,21)(H,18,19)
InChIKeyIUGAMYFFDZBFRY-UHFFFAOYSA-N
XLogP2.31
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxynaphthalen-2-yl)-1H-indazole-3-carboxamide
CID 86075446
4-hydroxy-3-(1H-indazole-3-carbonylamino)benzoic acid
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N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46523475
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-iodobenzamide
CID 78794976
N-(5-ethylsulfonyl-2-hydroxyphenyl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803302
3-chloro-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 31618494
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
N-(2-bromophenyl)-1H-indazole-3-carboxamide
CID 60636355
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509906
N-(5-chloro-2-fluorophenyl)-1H-indazole-3-carboxamide
CID 60700965
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide (CID 31618688) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2n[nH]c3ccccc23)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide?
The InChIKey is IUGAMYFFDZBFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-2-24(22,23)10-7-8-14(20)13(9-10)17-16(21)15-11-5-3-4-6-12(11)18-19-15/h3-9,20H,2H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 31618688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).