2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride

C12H12ClF2NO4S — CID 82731514

IUPAC2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
SMILESCC1OCCC1NC(=O)c1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C12H12ClF2NO4S/c1-6-8(4-5-20-6)16-12(17)10-7(14)2-3-9(11(10)15)21(13,18)19/h2-3,6,8H,4-5H2,1H3,(H,16,17)
InChIKeyWQWHPOKZWIPXMU-UHFFFAOYSA-N
MW339.75 g/mol
LogP1.80
Rot. Bonds3

About 2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride

2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride (PubChem CID 82731514) has the molecular formula C12H12ClF2NO4S and a molecular weight of 339.75 g/mol. Its IUPAC name is 2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
PubChem CID82731514
Molecular FormulaC12H12ClF2NO4S
Molecular Weight339.75 g/mol
Exact Mass339.01
IUPAC Name2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
SMILESCC1OCCC1NC(=O)c1c(F)ccc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C12H12ClF2NO4S/c1-6-8(4-5-20-6)16-12(17)10-7(14)2-3-9(11(10)15)21(13,18)19/h2-3,6,8H,4-5H2,1H3,(H,16,17)
InChIKeyWQWHPOKZWIPXMU-UHFFFAOYSA-N
XLogP1.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 65372559
5-bromo-2-chloro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82731630
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
3-methyl-4-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82729228
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
3-chlorosulfonyl-2,6-difluorobenzoic acid
CID 3304796
3-(butylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 65368086
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
5-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrrole-3-sulfonyl chloride
CID 82735899
3-methyl-5-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82737601
2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride
CID 79759048
oxolan-3-yl 3-chlorosulfonyl-2,6-difluorobenzoate
CID 65376083

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride (CID 82731514) is 2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride is CC1OCCC1NC(=O)c1c(F)ccc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is WQWHPOKZWIPXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO4S/c1-6-8(4-5-20-6)16-12(17)10-7(14)2-3-9(11(10)15)21(13,18)19/h2-3,6,8H,4-5H2,1H3,(H,16,17).
What are the key properties of 2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride?
2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 339.75 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 82731514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).