(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide

C13H19ClN2O3S — CID 99825537

IUPAC(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
SMILESC[C@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)N(C)C
InChIInChI=1S/C13H19ClN2O3S/c1-10-9-19-13(11-5-4-6-12(14)7-11)8-16(10)20(17,18)15(2)3/h4-7,10,13H,8-9H2,1-3H3/t10-,13-/m0/s1
InChIKeyZENSBFDYQYJKHE-GWCFXTLKSA-N
MW318.83 g/mol
LogP1.91
Rot. Bonds3

About (2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide

(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide (PubChem CID 99825537) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is (2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
PubChem CID99825537
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
SMILESC[C@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)N(C)C
InChIInChI=1S/C13H19ClN2O3S/c1-10-9-19-13(11-5-4-6-12(14)7-11)8-16(10)20(17,18)15(2)3/h4-7,10,13H,8-9H2,1-3H3/t10-,13-/m0/s1
InChIKeyZENSBFDYQYJKHE-GWCFXTLKSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-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

(2R,5R)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825536
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
CID 166417422
(4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 124729288
4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369392
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine
CID 122147461
4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369409
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
N,N,2-trimethyl-5-phenyl-1,3-oxazolidine-3-sulfonamide
CID 110740572
1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619075

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide?
The IUPAC name of (2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide (CID 99825537) is (2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide is C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)N(C)C.
What is the InChIKey of (2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide?
The InChIKey is ZENSBFDYQYJKHE-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-10-9-19-13(11-5-4-6-12(14)7-11)8-16(10)20(17,18)15(2)3/h4-7,10,13H,8-9H2,1-3H3/t10-,13-/m0/s1.
What are the key properties of (2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide?
(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 99825537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).