2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide

C24H23FN2O3S — CID 10895442

IUPAC2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(C)(=O)=O)C3)c1-c1ccc(F)cc1
InChIInChI=1S/C24H23FN2O3S/c1-15-4-3-5-22(23(15)16-6-9-19(25)10-7-16)24(28)26-20-11-8-17-12-21(14-18(17)13-20)27-31(2,29)30/h3-11,13,21,27H,12,14H2,1-2H3,(H,26,28)
InChIKeyOAOOUVFCVORAIE-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide

2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide (PubChem CID 10895442) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide
PubChem CID10895442
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC Name2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(C)(=O)=O)C3)c1-c1ccc(F)cc1
InChIInChI=1S/C24H23FN2O3S/c1-15-4-3-5-22(23(15)16-6-9-19(25)10-7-16)24(28)26-20-11-8-17-12-21(14-18(17)13-20)27-31(2,29)30/h3-11,13,21,27H,12,14H2,1-2H3,(H,26,28)
InChIKeyOAOOUVFCVORAIE-UHFFFAOYSA-N
XLogP4.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide (CID 10895442) is 2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)CC(NS(C)(=O)=O)C3)c1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide?
The InChIKey is OAOOUVFCVORAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-15-4-3-5-22(23(15)16-6-9-19(25)10-7-16)24(28)26-20-11-8-17-12-21(14-18(17)13-20)27-31(2,29)30/h3-11,13,21,27H,12,14H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide?
2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide has a molecular weight of 438.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide is sourced from PubChem (CID 10895442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).