5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride

C10H10Cl2FNO3S — CID 65368417

IUPAC5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCC(C)NC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C10H10Cl2FNO3S/c1-5(2)14-10(15)7-3-6(11)4-8(9(7)13)18(12,16)17/h3-5H,1-2H3,(H,14,15)
InChIKeyGEPSDYOLXXGEOI-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.54
Rot. Bonds3

About 5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride

5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65368417) has the molecular formula C10H10Cl2FNO3S and a molecular weight of 314.17 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
PubChem CID65368417
Molecular FormulaC10H10Cl2FNO3S
Molecular Weight314.17 g/mol
Exact Mass312.97
IUPAC Name5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
SMILESCC(C)NC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C10H10Cl2FNO3S/c1-5(2)14-10(15)7-3-6(11)4-8(9(7)13)18(12,16)17/h3-5H,1-2H3,(H,14,15)
InChIKeyGEPSDYOLXXGEOI-UHFFFAOYSA-N
XLogP2.54
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(3,3-dimethylbutan-2-ylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 104830356
5-chloro-2-methoxy-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368556
3-[butan-2-yl(ethyl)carbamoyl]-5-chloro-2-fluorobenzenesulfonyl chloride
CID 65372645
2,5-difluoro-3-(2-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65371574
methyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 43436756
2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367632
5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80714550
5-chloro-3-(1-cyclopropylethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 82890365
5-chloro-2-fluoro-N-(1-methylcyclopentyl)-3-sulfamoylbenzamide
CID 65380196
5-bromo-2-methyl-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368840
5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367301
propan-2-yl 5-chloro-2-fluoro-3-sulfamoylbenzoate
CID 65380009

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride (CID 65368417) is 5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride is CC(C)NC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is GEPSDYOLXXGEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO3S/c1-5(2)14-10(15)7-3-6(11)4-8(9(7)13)18(12,16)17/h3-5H,1-2H3,(H,14,15).
What are the key properties of 5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride?
5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 314.17 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).