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

C16H15ClN2O3S — CID 6976078

IUPAC(4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-11-10-16(20)18-14-4-2-3-5-15(14)19(11)23(21,22)13-8-6-12(17)7-9-13/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyPZAHBWYLTLSFMT-LLVKDONJSA-N
MW350.83 g/mol
LogP3.27
Rot. Bonds2

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

(4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 6976078) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is (4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID6976078
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name(4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-11-10-16(20)18-14-4-2-3-5-15(14)19(11)23(21,22)13-8-6-12(17)7-9-13/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyPZAHBWYLTLSFMT-LLVKDONJSA-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

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Related Compounds

5-(4-bromophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 3847783
5-(2,3-difluorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 75449015
4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093239
(4S)-5-[2-(4-chlorophenyl)-2-oxoethyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 92717425
[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 30926748
5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239520
(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1,3-dihydroquinoxalin-2-one
CID 7100388
4-chloro-N,2-dimethyl-N-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]benzenesulfonamide
CID 55689415
(4S)-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 8636552
(4R)-5-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 8636547
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
(4R)-5-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 25434921

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 6976078) is (4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is PZAHBWYLTLSFMT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-11-10-16(20)18-14-4-2-3-5-15(14)19(11)23(21,22)13-8-6-12(17)7-9-13/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
(4R)-5-(4-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 (4R)-5-(4-chlorophenyl)sulfonyl-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 6976078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).