1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide

C18H19N3O3S — CID 157136703

IUPAC1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide
SMILESCCC(C1N=C(c2ccccc2)c2ccccc2NC1=O)S(N)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-2-15(25(19,23)24)17-18(22)20-14-11-7-6-10-13(14)16(21-17)12-8-4-3-5-9-12/h3-11,15,17H,2H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyAJSBDWNRTFWDRK-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.91
Rot. Bonds4

About 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide

1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide (PubChem CID 157136703) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide
PubChem CID157136703
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide
SMILESCCC(C1N=C(c2ccccc2)c2ccccc2NC1=O)S(N)(=O)=O
InChIInChI=1S/C18H19N3O3S/c1-2-15(25(19,23)24)17-18(22)20-14-11-7-6-10-13(14)16(21-17)12-8-4-3-5-9-12/h3-11,15,17H,2H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyAJSBDWNRTFWDRK-UHFFFAOYSA-N
XLogP1.91
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide?
The IUPAC name of 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide (CID 157136703) is 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide?
The canonical SMILES for 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide is CCC(C1N=C(c2ccccc2)c2ccccc2NC1=O)S(N)(=O)=O.
What is the InChIKey of 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide?
The InChIKey is AJSBDWNRTFWDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-15(25(19,23)24)17-18(22)20-14-11-7-6-10-13(14)16(21-17)12-8-4-3-5-9-12/h3-11,15,17H,2H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide?
1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 157136703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).