2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide

C20H17NO3S — CID 25208731

IUPAC2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide
SMILESCC1Cc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2C1=O
InChIInChI=1S/C20H17NO3S/c1-13-11-15-9-10-16(12-18(15)20(13)22)25(23,24)21-19-8-4-6-14-5-2-3-7-17(14)19/h2-10,12-13,21H,11H2,1H3
InChIKeyCSQPSODCVMICSN-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.02
Rot. Bonds3

About 2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide

2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide (PubChem CID 25208731) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide
PubChem CID25208731
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Name2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide
SMILESCC1Cc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2C1=O
InChIInChI=1S/C20H17NO3S/c1-13-11-15-9-10-16(12-18(15)20(13)22)25(23,24)21-19-8-4-6-14-5-2-3-7-17(14)19/h2-10,12-13,21H,11H2,1H3
InChIKeyCSQPSODCVMICSN-UHFFFAOYSA-N
XLogP4.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
CID 30285558
3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
CID 177279924
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
4-methoxy-3-(4-methylpiperidine-1-carbonyl)-N-naphthalen-1-ylbenzenesulfonamide
CID 21367621
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879
methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
CID 1149220
3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 59533991
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
ethane;6-ethyl-2-methyl-2,3-dihydroinden-1-one
CID 143747856
N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 2945239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide?
The IUPAC name of 2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide (CID 25208731) is 2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide?
The canonical SMILES for 2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide is CC1Cc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2C1=O.
What is the InChIKey of 2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide?
The InChIKey is CSQPSODCVMICSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-13-11-15-9-10-16(12-18(15)20(13)22)25(23,24)21-19-8-4-6-14-5-2-3-7-17(14)19/h2-10,12-13,21H,11H2,1H3.
What are the key properties of 2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide?
2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide has a molecular weight of 351.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide is sourced from PubChem (CID 25208731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).