5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide

C10H12ClF2NO2S — CID 105118065

IUPAC5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(CCl)cc(F)c1F
InChIInChI=1S/C10H12ClF2NO2S/c1-6(2)14-17(15,16)9-4-7(5-11)3-8(12)10(9)13/h3-4,6,14H,5H2,1-2H3
InChIKeyUWYCSLGSKKOOHE-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.39
Rot. Bonds4

About 5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide

5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide (PubChem CID 105118065) has the molecular formula C10H12ClF2NO2S and a molecular weight of 283.73 g/mol. Its IUPAC name is 5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
PubChem CID105118065
Molecular FormulaC10H12ClF2NO2S
Molecular Weight283.73 g/mol
Exact Mass283.02
IUPAC Name5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1cc(CCl)cc(F)c1F
InChIInChI=1S/C10H12ClF2NO2S/c1-6(2)14-17(15,16)9-4-7(5-11)3-8(12)10(9)13/h3-4,6,14H,5H2,1-2H3
InChIKeyUWYCSLGSKKOOHE-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106029984
5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide
CID 105118067
4-(chloromethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704211
5-(aminomethyl)-2,3-difluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079695
2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053788
5-(aminomethyl)-2,3-difluoro-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083895
2,3-difluoro-5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283949
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2,3-difluorobenzenesulfonamide
CID 106084642
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 106059156
5-(aminomethyl)-N-(2,3-dimethylbutyl)-2,3-difluorobenzenesulfonamide
CID 105122469
4-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-2,6-dimethylthiomorpholine
CID 105118383
5-(chloromethyl)-2,3-difluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 105118375

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide (CID 105118065) is 5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1cc(CCl)cc(F)c1F.
What is the InChIKey of 5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UWYCSLGSKKOOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2S/c1-6(2)14-17(15,16)9-4-7(5-11)3-8(12)10(9)13/h3-4,6,14H,5H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide?
5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 283.73 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 105118065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).