(2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide

C12H14Cl2N2O4S — CID 128977312

IUPAC(2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1C(N)=O
InChIInChI=1S/C12H14Cl2N2O4S/c1-7-11(12(15)17)16(4-5-20-7)21(18,19)8-2-3-9(13)10(14)6-8/h2-3,6-7,11H,4-5H2,1H3,(H2,15,17)/t7-,11+/m1/s1
InChIKeyIFGQRTKVXOAPAO-HQJQHLMTSA-N
MW353.23 g/mol
LogP1.26
Rot. Bonds3

About (2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide

(2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide (PubChem CID 128977312) has the molecular formula C12H14Cl2N2O4S and a molecular weight of 353.23 g/mol. Its IUPAC name is (2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
PubChem CID128977312
Molecular FormulaC12H14Cl2N2O4S
Molecular Weight353.23 g/mol
Exact Mass352.01
IUPAC Name(2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1C(N)=O
InChIInChI=1S/C12H14Cl2N2O4S/c1-7-11(12(15)17)16(4-5-20-7)21(18,19)8-2-3-9(13)10(14)6-8/h2-3,6-7,11H,4-5H2,1H3,(H2,15,17)/t7-,11+/m1/s1
InChIKeyIFGQRTKVXOAPAO-HQJQHLMTSA-N
XLogP1.26
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-{1-[(3,4-Dichlorophenyl)sulfonyl]prolyl}morpholine
CID 3235930
3-chloro-N-(1-(2,6-dimethylmorpholino)-1-oxopropan-2-yl)benzenesulfonamide
CID 2959019
(2R,3S)-4-(3-chloro-5-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977137
(2R,3S)-4-(5-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977141
(2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977144
(2R,3S)-4-(2-chloro-4-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977253
(2R,3S)-4-(3-chloro-4-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977282
(2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977309
3-chloro-N-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 984244
3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 1236437
[(2S)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 1263870
[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 1263871

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide (CID 128977312) is (2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
The InChIKey is IFGQRTKVXOAPAO-HQJQHLMTSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4S/c1-7-11(12(15)17)16(4-5-20-7)21(18,19)8-2-3-9(13)10(14)6-8/h2-3,6-7,11H,4-5H2,1H3,(H2,15,17)/t7-,11+/m1/s1.
What are the key properties of (2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide has a molecular weight of 353.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 128977312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).