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

C16H15FN2O3S — CID 2814937

IUPAC5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H15FN2O3S/c1-11-9-16(20)18-14-7-2-3-8-15(14)19(11)23(21,22)13-6-4-5-12(17)10-13/h2-8,10-11H,9H2,1H3,(H,18,20)
InChIKeyQQMREGZWBVHHSN-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.75
Rot. Bonds2

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

5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 2814937) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID2814937
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H15FN2O3S/c1-11-9-16(20)18-14-7-2-3-8-15(14)19(11)23(21,22)13-6-4-5-12(17)10-13/h2-8,10-11H,9H2,1H3,(H,18,20)
InChIKeyQQMREGZWBVHHSN-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 2814937) is 5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is CC1CC(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is QQMREGZWBVHHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-11-9-16(20)18-14-7-2-3-8-15(14)19(11)23(21,22)13-6-4-5-12(17)10-13/h2-8,10-11H,9H2,1H3,(H,18,20).
What are the key properties of 5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 334.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 2814937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).