2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide

C9H10ClF2NO2S — CID 107651860

IUPAC2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)NCc1ccc(F)cc1F
InChIInChI=1S/C9H10ClF2NO2S/c10-3-4-16(14,15)13-6-7-1-2-8(11)5-9(7)12/h1-2,5,13H,3-4,6H2
InChIKeyHBXYPIDCUZVECJ-UHFFFAOYSA-N
MW269.70 g/mol
LogP1.62
Rot. Bonds5

About 2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide

2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide (PubChem CID 107651860) has the molecular formula C9H10ClF2NO2S and a molecular weight of 269.70 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide
PubChem CID107651860
Molecular FormulaC9H10ClF2NO2S
Molecular Weight269.70 g/mol
Exact Mass269.01
IUPAC Name2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)NCc1ccc(F)cc1F
InChIInChI=1S/C9H10ClF2NO2S/c10-3-4-16(14,15)13-6-7-1-2-8(11)5-9(7)12/h1-2,5,13H,3-4,6H2
InChIKeyHBXYPIDCUZVECJ-UHFFFAOYSA-N
XLogP1.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 51.62
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

N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)propane-1-sulfonamide
CID 106055202
1-(2-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]methanesulfonamide
CID 110782254
N-[(2,4-difluorophenyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106055191
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
CID 110780977
N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241598
1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
CID 43345431
N-[(4-cyano-2-fluorophenyl)methyl]propane-1-sulfonamide
CID 63359397
4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
CID 116815122
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobutane-1-sulfonamide
CID 116816016
5-bromo-N-[(2,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 6737105

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide (CID 107651860) is 2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide is O=S(=O)(CCCl)NCc1ccc(F)cc1F.
What is the InChIKey of 2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide?
The InChIKey is HBXYPIDCUZVECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2S/c10-3-4-16(14,15)13-6-7-1-2-8(11)5-9(7)12/h1-2,5,13H,3-4,6H2.
What are the key properties of 2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide?
2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide has a molecular weight of 269.70 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-difluorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 107651860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).