(3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one

C17H18N2O3S — CID 10592538

IUPAC(3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one
SMILESCN(C)N1C(=O)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-18(2)19-15(13-9-5-3-6-10-13)16(17(19)20)23(21,22)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyCRHWAOHZEDFDQX-HZPDHXFCSA-N
MW330.41 g/mol
LogP1.89
Rot. Bonds4

About (3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one

(3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one (PubChem CID 10592538) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one
PubChem CID10592538
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one
SMILESCN(C)N1C(=O)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-18(2)19-15(13-9-5-3-6-10-13)16(17(19)20)23(21,22)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m1/s1
InChIKeyCRHWAOHZEDFDQX-HZPDHXFCSA-N
XLogP1.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-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

(3S,4S)-1-benzyl-3-(4-fluorophenyl)sulfonyl-4-phenylazetidin-2-one
CID 102439574
(3S,4R)-3-(benzenesulfonyl)-1-tert-butyl-4-phenylpyrrolidin-2-one
CID 11199116
(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine
CID 124813963
(3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one
CID 16757039
(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 1486299
2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
CID 73191675
(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
CID 14984605
(3R,4S)-1-methyl-3,4-diphenylazetidin-2-one
CID 122372873
(3R,4S)-3-(benzenesulfonyl)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 101255253
(2S,3R,4R)-2-(benzenesulfonyl)-3,4-dihydroxycyclopentan-1-one
CID 101269410
2-methyl-1,3,5-triphenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 15019688
(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
CID 11003382

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one?
The IUPAC name of (3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one (CID 10592538) is (3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one is CN(C)N1C(=O)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one?
The InChIKey is CRHWAOHZEDFDQX-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-18(2)19-15(13-9-5-3-6-10-13)16(17(19)20)23(21,22)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one?
(3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one has a molecular weight of 330.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(benzenesulfonyl)-1-(dimethylamino)-4-phenylazetidin-2-one is sourced from PubChem (CID 10592538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).