4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide

C10H12ClF3N2O2S — CID 115409189

IUPAC4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(F)F)cc(F)c1Cl
InChIInChI=1S/C10H12ClF3N2O2S/c1-15-4-6-2-7(3-8(12)10(6)11)19(17,18)16-5-9(13)14/h2-3,9,15-16H,4-5H2,1H3
InChIKeyFZIHNLLYHFGDOW-UHFFFAOYSA-N
MW316.73 g/mol
LogP1.74
Rot. Bonds6

About 4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide

4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 115409189) has the molecular formula C10H12ClF3N2O2S and a molecular weight of 316.73 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide
PubChem CID115409189
Molecular FormulaC10H12ClF3N2O2S
Molecular Weight316.73 g/mol
Exact Mass316.03
IUPAC Name4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(F)F)cc(F)c1Cl
InChIInChI=1S/C10H12ClF3N2O2S/c1-15-4-6-2-7(3-8(12)10(6)11)19(17,18)16-5-9(13)14/h2-3,9,15-16H,4-5H2,1H3
InChIKeyFZIHNLLYHFGDOW-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-4-chloro-N-(2,2-difluoroethyl)-5-fluorobenzenesulfonamide
CID 115409156
4-chloro-N-(2,2-dimethylbutyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide
CID 103466084
4-chloro-3-[(cyclopropylamino)methyl]-5-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 81451983
4-chloro-3-fluoro-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81450686
4-chloro-3-fluoro-5-(methylaminomethyl)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 81450303
4-chloro-3-fluoro-N-methyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81458456
4-chloro-3-(chloromethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 81458333
4-chloro-N-ethyl-3-fluoro-5-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 81457009
4-chloro-N-ethyl-3-fluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 81457684
4-chloro-3-(ethylaminomethyl)-5-fluoro-N-propylbenzenesulfonamide
CID 81457570
4-chloro-3-fluoro-5-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81462040
4-chloro-3-fluoro-5-(methylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081584

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide (CID 115409189) is 4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)NCC(F)F)cc(F)c1Cl.
What is the InChIKey of 4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is FZIHNLLYHFGDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2S/c1-15-4-6-2-7(3-8(12)10(6)11)19(17,18)16-5-9(13)14/h2-3,9,15-16H,4-5H2,1H3.
What are the key properties of 4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide?
4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 316.73 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluoroethyl)-3-fluoro-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 115409189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).