2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide

C8H8Cl2FNO3S — CID 103087901

IUPAC2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C8H8Cl2FNO3S/c1-12(15-2)16(13,14)6-4-3-5(9)8(11)7(6)10/h3-4H,1-2H3
InChIKeyRCJNJPWHDOQRBW-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.31
Rot. Bonds3

About 2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide

2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide (PubChem CID 103087901) has the molecular formula C8H8Cl2FNO3S and a molecular weight of 288.13 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide
PubChem CID103087901
Molecular FormulaC8H8Cl2FNO3S
Molecular Weight288.13 g/mol
Exact Mass286.96
IUPAC Name2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C8H8Cl2FNO3S/c1-12(15-2)16(13,14)6-4-3-5(9)8(11)7(6)10/h3-4H,1-2H3
InChIKeyRCJNJPWHDOQRBW-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
CID 103087908
2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide
CID 114230859
N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089181
N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089670
2,4-dichloro-3-fluorobenzenesulfonyl chloride
CID 56604728
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99858909
2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide
CID 61059338
2-[(2,4-dichloro-3-fluorophenyl)sulfonyl-propylamino]ethanethioamide
CID 103088140
2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 91662378
2,4-dichloro-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 103088037
2-fluoro-N-methoxy-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 61051748

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide (CID 103087901) is 2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide is CON(C)S(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide?
The InChIKey is RCJNJPWHDOQRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FNO3S/c1-12(15-2)16(13,14)6-4-3-5(9)8(11)7(6)10/h3-4H,1-2H3.
What are the key properties of 2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide?
2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide has a molecular weight of 288.13 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 103087901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).