N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

C16H13F2NO5S2 — CID 10501213

IUPACN-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1F)C(=O)CC2
InChIInChI=1S/C16H13F2NO5S2/c1-25(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)26(23,24)15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
InChIKeyHPAFNENNXFATCF-UHFFFAOYSA-N
MW401.41 g/mol
LogP2.30
Rot. Bonds4

About N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10501213) has the molecular formula C16H13F2NO5S2 and a molecular weight of 401.41 g/mol. Its IUPAC name is N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10501213
Molecular FormulaC16H13F2NO5S2
Molecular Weight401.41 g/mol
Exact Mass401.02
IUPAC NameN-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1F)C(=O)CC2
InChIInChI=1S/C16H13F2NO5S2/c1-25(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)26(23,24)15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
InChIKeyHPAFNENNXFATCF-UHFFFAOYSA-N
XLogP2.30
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10501213) is N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1F)C(=O)CC2.
What is the InChIKey of N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is HPAFNENNXFATCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO5S2/c1-25(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)26(23,24)15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3.
What are the key properties of N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide has a molecular weight of 401.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-difluorophenyl)sulfonyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10501213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).