3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride

C11H13ClFNO3S — CID 65372366

IUPAC3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESCC(C)(C)NC(=O)c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C11H13ClFNO3S/c1-11(2,3)14-10(15)8-6-7(18(12,16)17)4-5-9(8)13/h4-6H,1-3H3,(H,14,15)
InChIKeyJHKUVUOUJYKPFK-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.28
Rot. Bonds2

About 3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride

3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride (PubChem CID 65372366) has the molecular formula C11H13ClFNO3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride
PubChem CID65372366
Molecular FormulaC11H13ClFNO3S
Molecular Weight293.75 g/mol
Exact Mass293.03
IUPAC Name3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESCC(C)(C)NC(=O)c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C11H13ClFNO3S/c1-11(2,3)14-10(15)8-6-7(18(12,16)17)4-5-9(8)13/h4-6H,1-3H3,(H,14,15)
InChIKeyJHKUVUOUJYKPFK-UHFFFAOYSA-N
XLogP2.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367572
3-acetyl-4-fluorobenzenesulfonyl chloride
CID 43118906
4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65397043
N-tert-butyl-5-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide
CID 42364399
4-fluoro-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367662
3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 65372559
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
3,4-difluoro-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368447
N-[4-(tert-butylcarbamoyl)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 38255118
N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide
CID 65375638
5-(tert-butylcarbamoyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 65372942
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride (CID 65372366) is 3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride is CC(C)(C)NC(=O)c1cc(S(=O)(=O)Cl)ccc1F.
What is the InChIKey of 3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The InChIKey is JHKUVUOUJYKPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3S/c1-11(2,3)14-10(15)8-6-7(18(12,16)17)4-5-9(8)13/h4-6H,1-3H3,(H,14,15).
What are the key properties of 3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride has a molecular weight of 293.75 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65372366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).