5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

C10H14ClFN2O3S — CID 54978972

IUPAC5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H14ClFN2O3S/c1-14(3-4-17-2)18(15,16)10-6-9(13)8(12)5-7(10)11/h5-6H,3-4,13H2,1-2H3
InChIKeyVNTCEOMWJFLJCE-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.33
Rot. Bonds5

About 5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 54978972) has the molecular formula C10H14ClFN2O3S and a molecular weight of 296.75 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID54978972
Molecular FormulaC10H14ClFN2O3S
Molecular Weight296.75 g/mol
Exact Mass296.04
IUPAC Name5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C10H14ClFN2O3S/c1-14(3-4-17-2)18(15,16)10-6-9(13)8(12)5-7(10)11/h5-6H,3-4,13H2,1-2H3
InChIKeyVNTCEOMWJFLJCE-UHFFFAOYSA-N
XLogP1.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 54978972) is 5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is VNTCEOMWJFLJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O3S/c1-14(3-4-17-2)18(15,16)10-6-9(13)8(12)5-7(10)11/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 296.75 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 54978972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).