2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride

C12H13ClFNO4S — CID 79759048

IUPAC2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride
SMILESCC1OCCC1C(=O)Nc1ccc(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C12H13ClFNO4S/c1-7-9(4-5-19-7)12(16)15-8-2-3-11(10(14)6-8)20(13,17)18/h2-3,6-7,9H,4-5H2,1H3,(H,15,16)
InChIKeyUETLFHMKYDIDNW-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.12
Rot. Bonds3

About 2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride

2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride (PubChem CID 79759048) has the molecular formula C12H13ClFNO4S and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride
PubChem CID79759048
Molecular FormulaC12H13ClFNO4S
Molecular Weight321.76 g/mol
Exact Mass321.02
IUPAC Name2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride
SMILESCC1OCCC1C(=O)Nc1ccc(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C12H13ClFNO4S/c1-7-9(4-5-19-7)12(16)15-8-2-3-11(10(14)6-8)20(13,17)18/h2-3,6-7,9H,4-5H2,1H3,(H,15,16)
InChIKeyUETLFHMKYDIDNW-UHFFFAOYSA-N
XLogP2.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62906523
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
N-(2-fluoro-5-sulfamoylphenyl)-2-methyloxolane-3-carboxamide
CID 79762826
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79755355
N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759025
N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759466
N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79751128
N-(4-carbamothioylphenyl)-2-methyloxolane-3-carboxamide
CID 79760045
2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176182
2-methyl-4-(oxane-4-carbonylamino)benzenesulfonyl chloride
CID 62906863
2,4-difluoro-3-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82731514
4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43111720

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride?
The IUPAC name of 2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride (CID 79759048) is 2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride is CC1OCCC1C(=O)Nc1ccc(S(=O)(=O)Cl)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride?
The InChIKey is UETLFHMKYDIDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO4S/c1-7-9(4-5-19-7)12(16)15-8-2-3-11(10(14)6-8)20(13,17)18/h2-3,6-7,9H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride?
2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride has a molecular weight of 321.76 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 79759048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).