4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide

C18H17F2NO3S — CID 135309706

IUPAC4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C1(C)CCc2c1ccc(F)c2F
InChIInChI=1S/C18H17F2NO3S/c1-11-5-3-4-6-15(11)25(23,24)21-17(22)18(2)10-9-12-13(18)7-8-14(19)16(12)20/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyUNEGIYDBCYHKKQ-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.98
Rot. Bonds3

About 4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide

4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135309706) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is 4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
PubChem CID135309706
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC Name4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C1(C)CCc2c1ccc(F)c2F
InChIInChI=1S/C18H17F2NO3S/c1-11-5-3-4-6-15(11)25(23,24)21-17(22)18(2)10-9-12-13(18)7-8-14(19)16(12)20/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyUNEGIYDBCYHKKQ-UHFFFAOYSA-N
XLogP2.98
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Fluorospiro[9H-fluorene-9,4''-isothiazolidin]-3''-one 1'',1''-Dioxide
CID 14856493
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-(4-methylphenyl)sulfonylacetamide
CID 156015944
2',7'-Difluoro-1,1-dioxospiro[1,2-thiazolidine-4,9'-fluorene]-3-one
CID 15717140
N-(2-methylphenyl)sulfonyl-1-phenylcyclobutane-1-carboxamide
CID 52305849
N-(2,4-dimethylphenyl)sulfonyl-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 52307530
N-[(4-fluorophenyl)methylsulfonyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 53608003
N-(3,4-dimethylphenyl)sulfonyl-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 52307380
(4R)-4-[(5S,6S,10S,13R,17R)-6-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-[2-(trifluoromethyl)phenyl]sulfonylpentanamide
CID 122664794
1-(2-Fluorophenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 129186963
4-chloro-N-(2,3-difluorophenyl)sulfonyl-1-ethyl-2,3-dihydroindene-1-carboxamide
CID 135309674
4-chloro-1-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309755
4-chloro-1-ethyl-N-[2-methyl-6-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindene-1-carboxamide
CID 135309795

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide (CID 135309706) is 4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide is Cc1ccccc1S(=O)(=O)NC(=O)C1(C)CCc2c1ccc(F)c2F.
What is the InChIKey of 4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is UNEGIYDBCYHKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c1-11-5-3-4-6-15(11)25(23,24)21-17(22)18(2)10-9-12-13(18)7-8-14(19)16(12)20/h3-8H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide?
4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1-methyl-N-(2-methylphenyl)sulfonyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135309706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).