4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide

C23H21N3O3S — CID 10598172

IUPAC4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1
InChIInChI=1S/C23H21N3O3S/c1-16-12-14-18(15-13-16)30(28,29)25-22-23(27)26(2)20-11-7-6-10-19(20)21(24-22)17-8-4-3-5-9-17/h3-15,22,25H,1-2H3
InChIKeyWDLIGHULHWLQAH-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.11
Rot. Bonds4

About 4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide

4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide (PubChem CID 10598172) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide
PubChem CID10598172
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1
InChIInChI=1S/C23H21N3O3S/c1-16-12-14-18(15-13-16)30(28,29)25-22-23(27)26(2)20-11-7-6-10-19(20)21(24-22)17-8-4-3-5-9-17/h3-15,22,25H,1-2H3
InChIKeyWDLIGHULHWLQAH-UHFFFAOYSA-N
XLogP3.11
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide (CID 10598172) is 4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1.
What is the InChIKey of 4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide?
The InChIKey is WDLIGHULHWLQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-16-12-14-18(15-13-16)30(28,29)25-22-23(27)26(2)20-11-7-6-10-19(20)21(24-22)17-8-4-3-5-9-17/h3-15,22,25H,1-2H3.
What are the key properties of 4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide?
4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide has a molecular weight of 419.51 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzenesulfonamide is sourced from PubChem (CID 10598172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).