(2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide

C12H14ClFN2O4S — CID 128977309

IUPAC(2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(S(=O)(=O)c2c(F)cccc2Cl)[C@@H]1C(N)=O
InChIInChI=1S/C12H14ClFN2O4S/c1-7-10(12(15)17)16(5-6-20-7)21(18,19)11-8(13)3-2-4-9(11)14/h2-4,7,10H,5-6H2,1H3,(H2,15,17)/t7-,10+/m1/s1
InChIKeyTYIHISXKUHWERC-XCBNKYQSSA-N
MW336.77 g/mol
LogP0.74
Rot. Bonds3

About (2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide

(2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide (PubChem CID 128977309) has the molecular formula C12H14ClFN2O4S and a molecular weight of 336.77 g/mol. Its IUPAC name is (2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
PubChem CID128977309
Molecular FormulaC12H14ClFN2O4S
Molecular Weight336.77 g/mol
Exact Mass336.03
IUPAC Name(2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(S(=O)(=O)c2c(F)cccc2Cl)[C@@H]1C(N)=O
InChIInChI=1S/C12H14ClFN2O4S/c1-7-10(12(15)17)16(5-6-20-7)21(18,19)11-8(13)3-2-4-9(11)14/h2-4,7,10H,5-6H2,1H3,(H2,15,17)/t7-,10+/m1/s1
InChIKeyTYIHISXKUHWERC-XCBNKYQSSA-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-(4-chloro-2-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977144
(2R,3S)-4-(3,4-dichlorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977312
1-(2-chloro-6-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
CID 75508944
4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine
CID 110727881
(4aR,8aR)-4-(2,6-dichlorophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 100890241
2-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 75508926
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
1-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 120709783
(2R,3S)-4-[(4-bromo-2-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983411
(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983412
(2R,3R)-1-(2,6-dichlorophenyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105446
4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83094650

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide (CID 128977309) is (2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN(S(=O)(=O)c2c(F)cccc2Cl)[C@@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
The InChIKey is TYIHISXKUHWERC-XCBNKYQSSA-N. The full InChI is InChI=1S/C12H14ClFN2O4S/c1-7-10(12(15)17)16(5-6-20-7)21(18,19)11-8(13)3-2-4-9(11)14/h2-4,7,10H,5-6H2,1H3,(H2,15,17)/t7-,10+/m1/s1.
What are the key properties of (2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-(2-chloro-6-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-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 128977309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).