2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide

C16H13NO4S — CID 138601746

IUPAC2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C16H13NO4S/c1-17-22(20,21)13-9-5-4-8-12(13)14-15(18)10-6-2-3-7-11(10)16(14)19/h2-9,17-18H,1H3
InChIKeyQKPGXGFDHLXJMN-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.22
Rot. Bonds3

About 2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide

2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide (PubChem CID 138601746) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide
PubChem CID138601746
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C16H13NO4S/c1-17-22(20,21)13-9-5-4-8-12(13)14-15(18)10-6-2-3-7-11(10)16(14)19/h2-9,17-18H,1H3
InChIKeyQKPGXGFDHLXJMN-UHFFFAOYSA-N
XLogP2.22
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-methylbenzenesulfonamide
CID 850141
2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide
CID 44723629
2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid
CID 138601815
2-tert-butyl-N-methylbenzenesulfonamide
CID 118909876
2-(4-hydroxyphenyl)sulfanyl-N-methylbenzenesulfonamide
CID 54911187
2-acetyl-N-methylbenzenesulfonamide
CID 130548930
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232
3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one
CID 137241667
N-methyl-2-(2-oxopentan-3-yl)benzenesulfonamide
CID 63196525
2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 107903498
N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10553370
2-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 67449324

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide (CID 138601746) is 2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is QKPGXGFDHLXJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-17-22(20,21)13-9-5-4-8-12(13)14-15(18)10-6-2-3-7-11(10)16(14)19/h2-9,17-18H,1H3.
What are the key properties of 2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide?
2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-oxoinden-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 138601746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).