3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide

C11H14ClF2NO2S — CID 54877229

IUPAC3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCl)c1cc(F)ccc1F
InChIInChI=1S/C11H14ClF2NO2S/c1-8(15-18(16,17)6-2-5-12)10-7-9(13)3-4-11(10)14/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyZKFKVWAPMAPTIG-UHFFFAOYSA-N
MW297.75 g/mol
LogP2.57
Rot. Bonds6

About 3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide

3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide (PubChem CID 54877229) has the molecular formula C11H14ClF2NO2S and a molecular weight of 297.75 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide
PubChem CID54877229
Molecular FormulaC11H14ClF2NO2S
Molecular Weight297.75 g/mol
Exact Mass297.04
IUPAC Name3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCl)c1cc(F)ccc1F
InChIInChI=1S/C11H14ClF2NO2S/c1-8(15-18(16,17)6-2-5-12)10-7-9(13)3-4-11(10)14/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyZKFKVWAPMAPTIG-UHFFFAOYSA-N
XLogP2.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 52.57
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

3-chloro-N-[1-(2,4-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877148
1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide
CID 63665787
4-chloro-N-[1-(2,4-difluorophenyl)ethyl]butane-1-sulfonamide
CID 116815561
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 107858607
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]butane-1-sulfonamide
CID 114009928
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propane-1-sulfonamide
CID 54877728
4-chloro-N-[1-(2-chlorophenyl)ethyl]butane-1-sulfonamide
CID 116815054
N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 146353198
3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]propane-1-sulfonamide
CID 62997355
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
CID 107858739
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide
CID 47372622
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 61051781

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide (CID 54877229) is 3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide is CC(NS(=O)(=O)CCCCl)c1cc(F)ccc1F.
What is the InChIKey of 3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide?
The InChIKey is ZKFKVWAPMAPTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO2S/c1-8(15-18(16,17)6-2-5-12)10-7-9(13)3-4-11(10)14/h3-4,7-8,15H,2,5-6H2,1H3.
What are the key properties of 3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide?
3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide has a molecular weight of 297.75 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 54877229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).