2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride

C11H13ClFNO3S — CID 83271819

IUPAC2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(CN2CCOCC2)ccc1F
InChIInChI=1S/C11H13ClFNO3S/c12-18(15,16)11-7-9(1-2-10(11)13)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
InChIKeyGADSLMWXQNGJDP-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.59
Rot. Bonds3

About 2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride

2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride (PubChem CID 83271819) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
PubChem CID83271819
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(CN2CCOCC2)ccc1F
InChIInChI=1S/C11H13ClFNO3S/c12-18(15,16)11-7-9(1-2-10(11)13)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2
InChIKeyGADSLMWXQNGJDP-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
CID 83271462
6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 83272082
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile
CID 66703677
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
CID 107694057
2-fluoro-5-(1,4-oxazepan-4-ylmethyl)benzonitrile
CID 103758445
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 51335547
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride (CID 83271819) is 2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(CN2CCOCC2)ccc1F.
What is the InChIKey of 2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride?
The InChIKey is GADSLMWXQNGJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c12-18(15,16)11-7-9(1-2-10(11)13)8-14-3-5-17-6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride?
2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride has a molecular weight of 293.75 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride is sourced from PubChem (CID 83271819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).