4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride

C9H10F3NO4S2 — CID 114791761

IUPAC4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCN(CC(F)F)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C9H10F3NO4S2/c1-13(6-9(10)11)19(16,17)8-4-2-7(3-5-8)18(12,14)15/h2-5,9H,6H2,1H3
InChIKeyZANPYBQRYFPTPZ-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.23
Rot. Bonds5

About 4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride

4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114791761) has the molecular formula C9H10F3NO4S2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114791761
Molecular FormulaC9H10F3NO4S2
Molecular Weight317.31 g/mol
Exact Mass317.00
IUPAC Name4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCN(CC(F)F)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C9H10F3NO4S2/c1-13(6-9(10)11)19(16,17)8-4-2-7(3-5-8)18(12,14)15/h2-5,9H,6H2,1H3
InChIKeyZANPYBQRYFPTPZ-UHFFFAOYSA-N
XLogP1.23
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(2-propan-2-yloxyethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791714
3-chloro-N-(2,2-difluoroethyl)-N-methyl-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 107091681
4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791690
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
4-[butan-2-yl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791315
N-(2,2-difluoroethyl)-3-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 107652034
N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide
CID 46939268
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
4-[1-cyclopropylethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791377
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 55060733

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride (CID 114791761) is 4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride is CN(CC(F)F)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is ZANPYBQRYFPTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S2/c1-13(6-9(10)11)19(16,17)8-4-2-7(3-5-8)18(12,14)15/h2-5,9H,6H2,1H3.
What are the key properties of 4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride?
4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 317.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114791761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).