5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride

C13H16ClF2NO3S — CID 65370918

IUPAC5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
SMILESCCC(C)N(CC)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F
InChIInChI=1S/C13H16ClF2NO3S/c1-4-8(3)17(5-2)13(18)9-6-12(21(14,19)20)11(16)7-10(9)15/h6-8H,4-5H2,1-3H3
InChIKeyRSJRAFRCPQWWFV-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.15
Rot. Bonds5

About 5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride

5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride (PubChem CID 65370918) has the molecular formula C13H16ClF2NO3S and a molecular weight of 339.79 g/mol. Its IUPAC name is 5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
PubChem CID65370918
Molecular FormulaC13H16ClF2NO3S
Molecular Weight339.79 g/mol
Exact Mass339.05
IUPAC Name5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
SMILESCCC(C)N(CC)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F
InChIInChI=1S/C13H16ClF2NO3S/c1-4-8(3)17(5-2)13(18)9-6-12(21(14,19)20)11(16)7-10(9)15/h6-8H,4-5H2,1-3H3
InChIKeyRSJRAFRCPQWWFV-UHFFFAOYSA-N
XLogP3.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371660
3-[butan-2-yl(ethyl)carbamoyl]-5-chloro-2-fluorobenzenesulfonyl chloride
CID 65372645
2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65371674
5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988
5-[butan-2-yl(methyl)carbamoyl]-4-chloro-2-fluorobenzenesulfonyl chloride
CID 65371297
3-[butan-2-yl(ethyl)carbamoyl]-4-chlorobenzenesulfonyl chloride
CID 65370343
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371490
2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370605
5-(2,2-dimethylbutylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 103465541
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
CID 61063559
2-methylpropyl 5-chlorosulfonyl-2,4-difluorobenzoate
CID 65397926

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride?
The IUPAC name of 5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride (CID 65370918) is 5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride?
The canonical SMILES for 5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride is CCC(C)N(CC)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F.
What is the InChIKey of 5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride?
The InChIKey is RSJRAFRCPQWWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO3S/c1-4-8(3)17(5-2)13(18)9-6-12(21(14,19)20)11(16)7-10(9)15/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride?
5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride has a molecular weight of 339.79 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 65370918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).