N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide

C14H13N3O5S2 — CID 22567207

IUPACN-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH][nH]c(=O)c2c1
InChIInChI=1S/C14H13N3O5S2/c1-23(19,20)13-5-3-2-4-12(13)17-24(21,22)9-6-7-11-10(8-9)14(18)16-15-11/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyVBCXBODJQRCHPV-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.06
Rot. Bonds4

About N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide

N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide (PubChem CID 22567207) has the molecular formula C14H13N3O5S2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide
PubChem CID22567207
Molecular FormulaC14H13N3O5S2
Molecular Weight367.41 g/mol
Exact Mass367.03
IUPAC NameN-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide
SMILESCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH][nH]c(=O)c2c1
InChIInChI=1S/C14H13N3O5S2/c1-23(19,20)13-5-3-2-4-12(13)17-24(21,22)9-6-7-11-10(8-9)14(18)16-15-11/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyVBCXBODJQRCHPV-UHFFFAOYSA-N
XLogP1.06
TPSA128.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfonylphenyl)-3-phenyl-1H-indazole-5-sulfonamide
CID 22567241
N-(2-methylphenyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-8-sulfonamide
CID 68939319
4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
CID 169370724
4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536176
2-(1H-indazol-3-yl)-5-[(2-methylsulfonylphenyl)sulfamoyl]benzamide
CID 142669402
2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416
N-(2-iodophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 563423
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
6-[[2-[(2-methylbenzoyl)amino]phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 126479306
N-[2-(methanesulfonamido)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 43069384
N-(2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 95234534
N-(2-iodophenyl)benzenesulfonamide
CID 632219

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide?
The IUPAC name of N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide (CID 22567207) is N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide is CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH][nH]c(=O)c2c1.
What is the InChIKey of N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide?
The InChIKey is VBCXBODJQRCHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5S2/c1-23(19,20)13-5-3-2-4-12(13)17-24(21,22)9-6-7-11-10(8-9)14(18)16-15-11/h2-8,17H,1H3,(H2,15,16,18).
What are the key properties of N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide?
N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide has a molecular weight of 367.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide is sourced from PubChem (CID 22567207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).