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

C12H14ClFN2O4S — CID 128977144

IUPAC(2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)cc2F)[C@@H]1C(N)=O
InChIInChI=1S/C12H14ClFN2O4S/c1-7-11(12(15)17)16(4-5-20-7)21(18,19)10-3-2-8(13)6-9(10)14/h2-3,6-7,11H,4-5H2,1H3,(H2,15,17)/t7-,11+/m1/s1
InChIKeyDLVCAKQOKHOBNC-HQJQHLMTSA-N
MW336.77 g/mol
LogP0.74
Rot. Bonds3

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

(2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide (PubChem CID 128977144) has the molecular formula C12H14ClFN2O4S and a molecular weight of 336.77 g/mol. Its IUPAC name is (2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
PubChem CID128977144
Molecular FormulaC12H14ClFN2O4S
Molecular Weight336.77 g/mol
Exact Mass336.03
IUPAC Name(2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)cc2F)[C@@H]1C(N)=O
InChIInChI=1S/C12H14ClFN2O4S/c1-7-11(12(15)17)16(4-5-20-7)21(18,19)10-3-2-8(13)6-9(10)14/h2-3,6-7,11H,4-5H2,1H3,(H2,15,17)/t7-,11+/m1/s1
InChIKeyDLVCAKQOKHOBNC-HQJQHLMTSA-N
XLogP0.74
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977309
(2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977312
(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983412
(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 79034860
1-(4-chloro-2-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672963
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 18086440
1-(4-chloro-2-fluorophenyl)sulfonylazepane-2-carboxylic acid
CID 64559200
3-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740287
2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 60957878
4-(4-chloro-2-fluorophenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78980358
(3S,4R)-1-(4-chloro-2-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79410117
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide (CID 128977144) is (2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN(S(=O)(=O)c2ccc(Cl)cc2F)[C@@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
The InChIKey is DLVCAKQOKHOBNC-HQJQHLMTSA-N. The full InChI is InChI=1S/C12H14ClFN2O4S/c1-7-11(12(15)17)16(4-5-20-7)21(18,19)10-3-2-8(13)6-9(10)14/h2-3,6-7,11H,4-5H2,1H3,(H2,15,17)/t7-,11+/m1/s1.
What are the key properties of (2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide has a molecular weight of 336.77 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 128977144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).