4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine

C12H16FNO3S — CID 52985823

IUPAC4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
SMILESCc1cc(S(=O)(=O)N2CCOC(C)C2)ccc1F
InChIInChI=1S/C12H16FNO3S/c1-9-7-11(3-4-12(9)13)18(15,16)14-5-6-17-10(2)8-14/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyNJBDYNSHGXJTNE-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.54
Rot. Bonds2

About 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine

4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine (PubChem CID 52985823) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
PubChem CID52985823
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
SMILESCc1cc(S(=O)(=O)N2CCOC(C)C2)ccc1F
InChIInChI=1S/C12H16FNO3S/c1-9-7-11(3-4-12(9)13)18(15,16)14-5-6-17-10(2)8-14/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyNJBDYNSHGXJTNE-UHFFFAOYSA-N
XLogP1.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 55171349
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694
4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345553
2-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62986535
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62987939
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369020
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
3,5-difluoro-4-(2-methylmorpholin-4-yl)sulfonylaniline
CID 54888968
3-[(2R)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 164708175
4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline
CID 43348538

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine (CID 52985823) is 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine is Cc1cc(S(=O)(=O)N2CCOC(C)C2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine?
The InChIKey is NJBDYNSHGXJTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9-7-11(3-4-12(9)13)18(15,16)14-5-6-17-10(2)8-14/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine?
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine has a molecular weight of 273.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine is sourced from PubChem (CID 52985823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).