N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide

C17H19NO2S — CID 155428735

IUPACN-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide
SMILESCC1Cc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2C1
InChIInChI=1S/C17H19NO2S/c1-12-8-14-6-7-15(10-16(14)9-12)13-4-3-5-17(11-13)18-21(2,19)20/h3-7,10-12,18H,8-9H2,1-2H3
InChIKeyMLHVJMYSERJEHD-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.46
Rot. Bonds3

About N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide

N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide (PubChem CID 155428735) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide
PubChem CID155428735
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide
SMILESCC1Cc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2C1
InChIInChI=1S/C17H19NO2S/c1-12-8-14-6-7-15(10-16(14)9-12)13-4-3-5-17(11-13)18-21(2,19)20/h3-7,10-12,18H,8-9H2,1-2H3
InChIKeyMLHVJMYSERJEHD-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide (CID 155428735) is N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide is CC1Cc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2C1.
What is the InChIKey of N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide?
The InChIKey is MLHVJMYSERJEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-8-14-6-7-15(10-16(14)9-12)13-4-3-5-17(11-13)18-21(2,19)20/h3-7,10-12,18H,8-9H2,1-2H3.
What are the key properties of N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide?
N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 155428735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).