2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride

C12H15ClFNO3S — CID 83271907

IUPAC2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride
SMILESCC(c1ccc(S(=O)(=O)Cl)c(F)c1)N1CCOCC1
InChIInChI=1S/C12H15ClFNO3S/c1-9(15-4-6-18-7-5-15)10-2-3-12(11(14)8-10)19(13,16)17/h2-3,8-9H,4-7H2,1H3
InChIKeyDKBSZWLLZDPMFN-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.15
Rot. Bonds3

About 2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride

2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride (PubChem CID 83271907) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is 2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride
PubChem CID83271907
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride
SMILESCC(c1ccc(S(=O)(=O)Cl)c(F)c1)N1CCOCC1
InChIInChI=1S/C12H15ClFNO3S/c1-9(15-4-6-18-7-5-15)10-2-3-12(11(14)8-10)19(13,16)17/h2-3,8-9H,4-7H2,1H3
InChIKeyDKBSZWLLZDPMFN-UHFFFAOYSA-N
XLogP2.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266
1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8771509
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65371595
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 92787138
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
1-(3,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79051908
(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-fluoro-4-(1-morpholin-4-ylethyl)phenyl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 11295256
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
CID 83271819

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride (CID 83271907) is 2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride is CC(c1ccc(S(=O)(=O)Cl)c(F)c1)N1CCOCC1.
What is the InChIKey of 2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride?
The InChIKey is DKBSZWLLZDPMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-9(15-4-6-18-7-5-15)10-2-3-12(11(14)8-10)19(13,16)17/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride?
2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride has a molecular weight of 307.77 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride is sourced from PubChem (CID 83271907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).