3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride

C11H13ClFNO5S2 — CID 79846258

IUPAC3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride
SMILESCN(CCS(C)(=O)=O)C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H13ClFNO5S2/c1-14(3-4-20(2,16)17)11(15)8-5-9(13)7-10(6-8)21(12,18)19/h5-7H,3-4H2,1-2H3
InChIKeyIMPIJKABDOMCHZ-UHFFFAOYSA-N
MW357.81 g/mol
LogP0.87
Rot. Bonds5

About 3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride

3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 79846258) has the molecular formula C11H13ClFNO5S2 and a molecular weight of 357.81 g/mol. Its IUPAC name is 3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride
PubChem CID79846258
Molecular FormulaC11H13ClFNO5S2
Molecular Weight357.81 g/mol
Exact Mass356.99
IUPAC Name3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride
SMILESCN(CCS(C)(=O)=O)C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H13ClFNO5S2/c1-14(3-4-20(2,16)17)11(15)8-5-9(13)7-10(6-8)21(12,18)19/h5-7H,3-4H2,1-2H3
InChIKeyIMPIJKABDOMCHZ-UHFFFAOYSA-N
XLogP0.87
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-ethoxyethyl(methyl)carbamoyl]-5-fluorobenzenesulfonyl chloride
CID 81074339
3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107121238
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65375225
4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79858160
4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924767
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65396840
5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 78924793
3-fluoro-5-(3-methylbut-2-enylcarbamoyl)benzenesulfonyl chloride
CID 114155874
5-amino-2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79844796
3-fluoro-5-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65398193
3-[ethyl(methyl)carbamoyl]-5-(methoxymethyl)benzenesulfonyl chloride
CID 65372783
4-methylpentan-2-yl 3-chlorosulfonyl-5-fluorobenzoate
CID 65396573

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride (CID 79846258) is 3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride is CN(CCS(C)(=O)=O)C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is IMPIJKABDOMCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO5S2/c1-14(3-4-20(2,16)17)11(15)8-5-9(13)7-10(6-8)21(12,18)19/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride?
3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 357.81 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[methyl(2-methylsulfonylethyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 79846258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).