2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride

C9H8Cl2FNO3S — CID 65372566

IUPAC2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1F
InChIInChI=1S/C9H8Cl2FNO3S/c1-13(2)9(14)5-3-8(17(11,15)16)6(10)4-7(5)12/h3-4H,1-2H3
InChIKeyXJOUXQZGLNVEIO-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.11
Rot. Bonds2

About 2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride

2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride (PubChem CID 65372566) has the molecular formula C9H8Cl2FNO3S and a molecular weight of 300.14 g/mol. Its IUPAC name is 2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
PubChem CID65372566
Molecular FormulaC9H8Cl2FNO3S
Molecular Weight300.14 g/mol
Exact Mass298.96
IUPAC Name2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1F
InChIInChI=1S/C9H8Cl2FNO3S/c1-13(2)9(14)5-3-8(17(11,15)16)6(10)4-7(5)12/h3-4H,1-2H3
InChIKeyXJOUXQZGLNVEIO-UHFFFAOYSA-N
XLogP2.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65372490
2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371090
tert-butyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65397316
2-methylpropyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65398119
3-methylbutyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 65396391
3,3-dimethylbutyl 4-chloro-5-chlorosulfonyl-2-fluorobenzoate
CID 66225109
5-[butan-2-yl(methyl)carbamoyl]-4-chloro-2-fluorobenzenesulfonyl chloride
CID 65371297
4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373711
4-chloro-2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371341
2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65371674
4-chloro-5-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65370403
2-chloro-5-(cyclopentylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride (CID 65372566) is 2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride is CN(C)C(=O)c1cc(S(=O)(=O)Cl)c(Cl)cc1F.
What is the InChIKey of 2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The InChIKey is XJOUXQZGLNVEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2FNO3S/c1-13(2)9(14)5-3-8(17(11,15)16)6(10)4-7(5)12/h3-4H,1-2H3.
What are the key properties of 2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride has a molecular weight of 300.14 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65372566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).