1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide

C9H10ClF2NO2S — CID 63665787

IUPAC1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)CCl)c1cc(F)ccc1F
InChIInChI=1S/C9H10ClF2NO2S/c1-6(13-16(14,15)5-10)8-4-7(11)2-3-9(8)12/h2-4,6,13H,5H2,1H3
InChIKeyIZWILCMFHPQSGA-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.14
Rot. Bonds4

About 1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide

1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide (PubChem CID 63665787) has the molecular formula C9H10ClF2NO2S and a molecular weight of 269.70 g/mol. Its IUPAC name is 1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide
PubChem CID63665787
Molecular FormulaC9H10ClF2NO2S
Molecular Weight269.70 g/mol
Exact Mass269.01
IUPAC Name1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)CCl)c1cc(F)ccc1F
InChIInChI=1S/C9H10ClF2NO2S/c1-6(13-16(14,15)5-10)8-4-7(11)2-3-9(8)12/h2-4,6,13H,5H2,1H3
InChIKeyIZWILCMFHPQSGA-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.14
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-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877229
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
3-chloro-N-[1-(2,4-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877148
4-chloro-N-[1-(2,4-difluorophenyl)ethyl]butane-1-sulfonamide
CID 116815561
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32676505
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
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
N-[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfonamide
CID 175233187
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide (CID 63665787) is 1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide is CC(NS(=O)(=O)CCl)c1cc(F)ccc1F.
What is the InChIKey of 1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide?
The InChIKey is IZWILCMFHPQSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2S/c1-6(13-16(14,15)5-10)8-4-7(11)2-3-9(8)12/h2-4,6,13H,5H2,1H3.
What are the key properties of 1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide?
1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide has a molecular weight of 269.70 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 63665787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).