4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide

C19H19F2NO3S — CID 167535377

IUPAC4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(S(=O)(=O)CC(F)F)cc1
InChIInChI=1S/C19H19F2NO3S/c1-12-2-8-16-14(10-12)5-9-17(16)22-19(23)13-3-6-15(7-4-13)26(24,25)11-18(20)21/h2-4,6-8,10,17-18H,5,9,11H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyDQDJBMURFNYVNU-QGZVFWFLSA-N
MW379.43 g/mol
LogP3.45
Rot. Bonds5

About 4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide

4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 167535377) has the molecular formula C19H19F2NO3S and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID167535377
Molecular FormulaC19H19F2NO3S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(S(=O)(=O)CC(F)F)cc1
InChIInChI=1S/C19H19F2NO3S/c1-12-2-8-16-14(10-12)5-9-17(16)22-19(23)13-3-6-15(7-4-13)26(24,25)11-18(20)21/h2-4,6-8,10,17-18H,5,9,11H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyDQDJBMURFNYVNU-QGZVFWFLSA-N
XLogP3.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide with MolForge

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Related Compounds

4-(2-methoxyethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167659779
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
CID 167682226
2-hydroxy-3-methyl-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581886
2-amino-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119302154
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167578761
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(methylsulfonylmethyl)benzamide
CID 155283312
N-(2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 17444395
4-(methanesulfonamido)-N-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167189010
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 56782488
N-(2,3-dihydro-1H-inden-1-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297408

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide (CID 167535377) is 4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide is Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(S(=O)(=O)CC(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is DQDJBMURFNYVNU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19F2NO3S/c1-12-2-8-16-14(10-12)5-9-17(16)22-19(23)13-3-6-15(7-4-13)26(24,25)11-18(20)21/h2-4,6-8,10,17-18H,5,9,11H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide?
4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 379.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylsulfonyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 167535377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).