4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride

C12H13ClFNO4S — CID 81478255

IUPAC4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(C(=O)N2CCOCC2)c1F
InChIInChI=1S/C12H13ClFNO4S/c1-8-6-9(20(13,17)18)7-10(11(8)14)12(16)15-2-4-19-5-3-15/h6-7H,2-5H2,1H3
InChIKeyIKXRQKRBCKXWRX-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.53
Rot. Bonds2

About 4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride

4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride (PubChem CID 81478255) has the molecular formula C12H13ClFNO4S and a molecular weight of 321.76 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
PubChem CID81478255
Molecular FormulaC12H13ClFNO4S
Molecular Weight321.76 g/mol
Exact Mass321.02
IUPAC Name4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(C(=O)N2CCOCC2)c1F
InChIInChI=1S/C12H13ClFNO4S/c1-8-6-9(20(13,17)18)7-10(11(8)14)12(16)15-2-4-19-5-3-15/h6-7H,2-5H2,1H3
InChIKeyIKXRQKRBCKXWRX-UHFFFAOYSA-N
XLogP1.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-dimethylpyrrolidine-1-carbonyl)-4-fluoro-5-methylbenzenesulfonyl chloride
CID 81481151
4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65372749
2,4-difluoro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65371595
oxolan-3-yl 5-chlorosulfonyl-2-fluoro-3-methylbenzoate
CID 81479311
3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-4-fluoro-5-methylbenzenesulfonyl chloride
CID 81481969
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112
4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide
CID 103296196
4-chloro-3-fluoro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 81454088
3-[ethyl(propan-2-yl)carbamoyl]-4-fluoro-5-methylbenzenesulfonyl chloride
CID 81479215
[4-fluoro-2-methyl-5-(morpholine-4-carbonyl)phenyl] hypoiodite
CID 146329829
(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 103295707
4-chloro-N-(3-chloro-4-methylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 27258307

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride (CID 81478255) is 4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)cc(C(=O)N2CCOCC2)c1F.
What is the InChIKey of 4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The InChIKey is IKXRQKRBCKXWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO4S/c1-8-6-9(20(13,17)18)7-10(11(8)14)12(16)15-2-4-19-5-3-15/h6-7H,2-5H2,1H3.
What are the key properties of 4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride has a molecular weight of 321.76 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 81478255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).