(2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide

C12H17BrN2O3S — CID 125142910

IUPAC(2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C
InChIInChI=1S/C12H17BrN2O3S/c1-9-12(10-3-5-11(13)6-4-10)18-8-7-15(9)19(16,17)14-2/h3-6,9,12,14H,7-8H2,1-2H3/t9-,12-/m1/s1
InChIKeyCKNMPYIDDDPGKZ-BXKDBHETSA-N
MW349.25 g/mol
LogP1.68
Rot. Bonds3

About (2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide

(2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide (PubChem CID 125142910) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is (2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide
PubChem CID125142910
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name(2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide
SMILESCNS(=O)(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C
InChIInChI=1S/C12H17BrN2O3S/c1-9-12(10-3-5-11(13)6-4-10)18-8-7-15(9)19(16,17)14-2/h3-6,9,12,14H,7-8H2,1-2H3/t9-,12-/m1/s1
InChIKeyCKNMPYIDDDPGKZ-BXKDBHETSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide 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

3-[(2S,3S)-2-(4-bromophenyl)-3-methylmorpholin-4-yl]-N-methylpropanamide
CID 124588757
3-methyl-2-phenyl-4-propylsulfonylmorpholine
CID 110728469
3-methyl-4-[(4-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110728479
5-[2-(4-bromophenyl)-3-methylmorpholin-4-yl]pyrazine-2-carboxylic acid
CID 122054591
[2-(4-bromophenyl)-3-methylmorpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120640329
(2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine
CID 7353221
(2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide
CID 97245159
1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione
CID 5303633
4-[(2R,3R)-2-(4-bromophenyl)-3-methylmorpholine-4-carbonyl]-2H-phthalazin-1-one
CID 97245138
4-[2-(4-bromophenyl)-3-methylmorpholine-4-carbonyl]-2H-phthalazin-1-one
CID 75390525
(2R,3R)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-3-yloxyethyl)morpholine-4-carboxamide
CID 97244968
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide (CID 125142910) is (2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide is CNS(=O)(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C.
What is the InChIKey of (2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide?
The InChIKey is CKNMPYIDDDPGKZ-BXKDBHETSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-9-12(10-3-5-11(13)6-4-10)18-8-7-15(9)19(16,17)14-2/h3-6,9,12,14H,7-8H2,1-2H3/t9-,12-/m1/s1.
What are the key properties of (2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide?
(2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide has a molecular weight of 349.25 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-bromophenyl)-N,3-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 125142910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).