5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C16H14F2N2O3S — CID 2814935

IUPAC5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O3S/c1-10-8-16(21)19-13-4-2-3-5-14(13)20(10)24(22,23)15-7-6-11(17)9-12(15)18/h2-7,9-10H,8H2,1H3,(H,19,21)
InChIKeyQNRGNILAJSTWNK-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.89
Rot. Bonds2

About 5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one

5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 2814935) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID2814935
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC Name5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O3S/c1-10-8-16(21)19-13-4-2-3-5-14(13)20(10)24(22,23)15-7-6-11(17)9-12(15)18/h2-7,9-10H,8H2,1H3,(H,19,21)
InChIKeyQNRGNILAJSTWNK-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 2814935) is 5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is CC1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is QNRGNILAJSTWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c1-10-8-16(21)19-13-4-2-3-5-14(13)20(10)24(22,23)15-7-6-11(17)9-12(15)18/h2-7,9-10H,8H2,1H3,(H,19,21).
What are the key properties of 5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 352.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 2814935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).