2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride

C13H16ClF2NO3S — CID 65371660

IUPAC2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F)C(C)C
InChIInChI=1S/C13H16ClF2NO3S/c1-4-5-17(8(2)3)13(18)9-6-12(21(14,19)20)11(16)7-10(9)15/h6-8H,4-5H2,1-3H3
InChIKeyZREFONIAKIQOHY-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.15
Rot. Bonds5

About 2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride

2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65371660) has the molecular formula C13H16ClF2NO3S and a molecular weight of 339.79 g/mol. Its IUPAC name is 2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65371660
Molecular FormulaC13H16ClF2NO3S
Molecular Weight339.79 g/mol
Exact Mass339.05
IUPAC Name2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F)C(C)C
InChIInChI=1S/C13H16ClF2NO3S/c1-4-5-17(8(2)3)13(18)9-6-12(21(14,19)20)11(16)7-10(9)15/h6-8H,4-5H2,1-3H3
InChIKeyZREFONIAKIQOHY-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

5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65370918
5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988
3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65372237
2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65371674
2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370605
2,5-difluoro-4-nitro-N-propan-2-yl-N-propylbenzamide
CID 104699252
2,5-difluoro-N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 65387362
2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371090
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
5-[butan-2-yl(methyl)carbamoyl]-4-chloro-2-fluorobenzenesulfonyl chloride
CID 65371297

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride (CID 65371660) is 2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride is CCCN(C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F)C(C)C.
What is the InChIKey of 2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is ZREFONIAKIQOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO3S/c1-4-5-17(8(2)3)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 2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride?
2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl 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 2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65371660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).