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

C16H15ClN2O3S — CID 2814944

IUPAC5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O3S/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)
InChIKeyDTRBMLYSYQKGPS-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.27
Rot. Bonds2

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

5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 2814944) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID2814944
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O3S/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)
InChIKeyDTRBMLYSYQKGPS-UHFFFAOYSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,4-difluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814935
5-[(3-fluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814937
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-2-carboxamide
CID 4001201
8-Chloro-2,3-dihydro-2-(3-methyl-2-butenyl)-3-methyl-1,2,5-benzothiadiazepin-4(5H)-one 1,1-dioxide
CID 471050
N-(2-{[(4-chlorophenyl)sulfonyl]amino}phenyl)acetamide
CID 873668
2-[Benzenesulfonyl-(4-chloro-phenyl)-amino]-N-ethyl-acetamide
CID 2271056
N-{4-[(2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)sulfonyl]phenyl}acetamide
CID 2814932
5-[(4-chlorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814938
N-{4-[(4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)sulfonyl]phenyl}acetamide
CID 3423822
4-methyl-5-(phenylsulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 3773819
(2S)-1-(4-chlorophenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 1487038
3-[4-(4-Chlorobenzenesulfonyl)piperazin-1-YL]-N-(4-fluorophenyl)propanamide
CID 16003301

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 2814944) is 5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is CC1CC(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is DTRBMLYSYQKGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/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-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 350.83 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 2814944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).