4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide

C12H18Cl2N2O3S — CID 82949208

IUPAC4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H18Cl2N2O3S/c1-8(2)16(4-5-19-3)20(17,18)12-10(13)6-9(15)7-11(12)14/h6-8H,4-5,15H2,1-3H3
InChIKeyLSEDFVIOZPXPQO-UHFFFAOYSA-N
MW341.26 g/mol
LogP2.62
Rot. Bonds6

About 4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide

4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 82949208) has the molecular formula C12H18Cl2N2O3S and a molecular weight of 341.26 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID82949208
Molecular FormulaC12H18Cl2N2O3S
Molecular Weight341.26 g/mol
Exact Mass340.04
IUPAC Name4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H18Cl2N2O3S/c1-8(2)16(4-5-19-3)20(17,18)12-10(13)6-9(15)7-11(12)14/h6-8H,4-5,15H2,1-3H3
InChIKeyLSEDFVIOZPXPQO-UHFFFAOYSA-N
XLogP2.62
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.62
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 4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (CID 82949208) is 4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is COCCN(C(C)C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LSEDFVIOZPXPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O3S/c1-8(2)16(4-5-19-3)20(17,18)12-10(13)6-9(15)7-11(12)14/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 341.26 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82949208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).