2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide

C10H13ClFNO2S — CID 102920020

IUPAC2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(F)ccc1CCl
InChIInChI=1S/C10H13ClFNO2S/c1-3-13(2)16(14,15)10-6-9(12)5-4-8(10)7-11/h4-6H,3,7H2,1-2H3
InChIKeyVILZWKWBXPAXMD-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.20
Rot. Bonds4

About 2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide

2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide (PubChem CID 102920020) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide
PubChem CID102920020
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(F)ccc1CCl
InChIInChI=1S/C10H13ClFNO2S/c1-3-13(2)16(14,15)10-6-9(12)5-4-8(10)7-11/h4-6H,3,7H2,1-2H3
InChIKeyVILZWKWBXPAXMD-UHFFFAOYSA-N
XLogP2.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-fluoro-N-methyl-N-pentylbenzenesulfonamide
CID 102920022
2-(chloromethyl)-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 102920040
2-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzenesulfonamide
CID 102920066
2-(chloromethyl)-N-cyclopropyl-5-fluoro-N-propylbenzenesulfonamide
CID 102920018
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 102919704
2-(chloromethyl)-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 102920088
N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 102920241
5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide
CID 59389599
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 102919721
5-fluoro-N-methyl-2-(propylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 102920924
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 102920881
N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920795

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide (CID 102920020) is 2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide is CCN(C)S(=O)(=O)c1cc(F)ccc1CCl.
What is the InChIKey of 2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide?
The InChIKey is VILZWKWBXPAXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-3-13(2)16(14,15)10-6-9(12)5-4-8(10)7-11/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide?
2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide has a molecular weight of 265.74 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 102920020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).