3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride

C9H9ClFNO3S — CID 65367572

IUPAC3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESCCNC(=O)c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C9H9ClFNO3S/c1-2-12-9(13)7-5-6(16(10,14)15)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyNFLRSDZKTCAZLP-UHFFFAOYSA-N
MW265.69 g/mol
LogP1.50
Rot. Bonds3

About 3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride

3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride (PubChem CID 65367572) has the molecular formula C9H9ClFNO3S and a molecular weight of 265.69 g/mol. Its IUPAC name is 3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
PubChem CID65367572
Molecular FormulaC9H9ClFNO3S
Molecular Weight265.69 g/mol
Exact Mass265.00
IUPAC Name3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESCCNC(=O)c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C9H9ClFNO3S/c1-2-12-9(13)7-5-6(16(10,14)15)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyNFLRSDZKTCAZLP-UHFFFAOYSA-N
XLogP1.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367662
4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65397043
3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372366
3-acetyl-4-fluorobenzenesulfonyl chloride
CID 43118906
5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide
CID 70968696
N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 48532285
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642
2-chloro-3-(ethylcarbamoyl)-5,6-difluorobenzenesulfonyl chloride
CID 65367815
4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride
CID 82917384
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020

Frequently Asked Questions

What is the IUPAC name of 3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride (CID 65367572) is 3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride is CCNC(=O)c1cc(S(=O)(=O)Cl)ccc1F.
What is the InChIKey of 3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The InChIKey is NFLRSDZKTCAZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO3S/c1-2-12-9(13)7-5-6(16(10,14)15)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride has a molecular weight of 265.69 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65367572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).