2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride

C8H6ClF2NO3S — CID 65367632

IUPAC2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
SMILESCNC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C8H6ClF2NO3S/c1-12-8(13)5-2-4(10)3-6(7(5)11)16(9,14)15/h2-3H,1H3,(H,12,13)
InChIKeyRITGWEDKOXFWPS-UHFFFAOYSA-N
MW269.66 g/mol
LogP1.25
Rot. Bonds2

About 2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride

2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65367632) has the molecular formula C8H6ClF2NO3S and a molecular weight of 269.66 g/mol. Its IUPAC name is 2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
PubChem CID65367632
Molecular FormulaC8H6ClF2NO3S
Molecular Weight269.66 g/mol
Exact Mass268.97
IUPAC Name2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
SMILESCNC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C8H6ClF2NO3S/c1-12-8(13)5-2-4(10)3-6(7(5)11)16(9,14)15/h2-3H,1H3,(H,12,13)
InChIKeyRITGWEDKOXFWPS-UHFFFAOYSA-N
XLogP1.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367980
2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373274
3-acetyl-2,5-difluorobenzenesulfonyl chloride
CID 43118897
2,5-difluoro-3-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368777
2,5-difluoro-3-(3-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 106331490
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
2,5-difluoro-3-(2-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65371574
3-(cyclohexylcarbamoyl)-2,5-difluorobenzenesulfonyl chloride
CID 65366757
5-chloro-2-fluoro-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368417
3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride
CID 65370803
2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65370004
2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369072

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride (CID 65367632) is 2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride is CNC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is RITGWEDKOXFWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3S/c1-12-8(13)5-2-4(10)3-6(7(5)11)16(9,14)15/h2-3H,1H3,(H,12,13).
What are the key properties of 2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride?
2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 269.66 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65367632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).