4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride

C10H8ClF4NO3S — CID 65397043

IUPAC4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCCC(F)(F)F)c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C10H8ClF4NO3S/c11-20(18,19)6-1-2-8(12)7(5-6)9(17)16-4-3-10(13,14)15/h1-2,5H,3-4H2,(H,16,17)
InChIKeyIJHJOAJWWKSRKS-UHFFFAOYSA-N
MW333.69 g/mol
LogP2.44
Rot. Bonds4

About 4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride

4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65397043) has the molecular formula C10H8ClF4NO3S and a molecular weight of 333.69 g/mol. Its IUPAC name is 4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
PubChem CID65397043
Molecular FormulaC10H8ClF4NO3S
Molecular Weight333.69 g/mol
Exact Mass332.98
IUPAC Name4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NCCC(F)(F)F)c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C10H8ClF4NO3S/c11-20(18,19)6-1-2-8(12)7(5-6)9(17)16-4-3-10(13,14)15/h1-2,5H,3-4H2,(H,16,17)
InChIKeyIJHJOAJWWKSRKS-UHFFFAOYSA-N
XLogP2.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367572
4-fluoro-3-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367662
3-(tert-butylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372366
4-bromo-2-fluoro-5-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398773
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
2-fluoro-5-sulfanyl-N-(5,5,5-trifluoropentyl)benzamide
CID 107033370
5-fluoro-2-methyl-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398199
4-(4,4,4-trifluorobutylcarbamoyl)benzenesulfonyl chloride
CID 115519611
3-acetyl-4-fluorobenzenesulfonyl chloride
CID 43118906
2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 63228100
4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
CID 107029487
1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611390

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride (CID 65397043) is 4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride is O=C(NCCC(F)(F)F)c1cc(S(=O)(=O)Cl)ccc1F.
What is the InChIKey of 4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is IJHJOAJWWKSRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO3S/c11-20(18,19)6-1-2-8(12)7(5-6)9(17)16-4-3-10(13,14)15/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of 4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride?
4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 333.69 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65397043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).