2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide

C9H12Cl2N2O3S — CID 43255658

IUPAC2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N2O3S/c1-16-3-2-13-17(14,15)9-7(11)4-6(10)5-8(9)12/h4-5,13H,2-3,12H2,1H3
InChIKeyVBGLZWPOPBDINQ-UHFFFAOYSA-N
MW299.18 g/mol
LogP1.50
Rot. Bonds5

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

2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 43255658) has the molecular formula C9H12Cl2N2O3S and a molecular weight of 299.18 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID43255658
Molecular FormulaC9H12Cl2N2O3S
Molecular Weight299.18 g/mol
Exact Mass297.99
IUPAC Name2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N2O3S/c1-16-3-2-13-17(14,15)9-7(11)4-6(10)5-8(9)12/h4-5,13H,2-3,12H2,1H3
InChIKeyVBGLZWPOPBDINQ-UHFFFAOYSA-N
XLogP1.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 43255854
2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
CID 61111383
2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62636292
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
2-amino-4,6-dichloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80684988
3-amino-2-bromo-5-chloro-N-(3-methoxypropyl)benzenesulfonamide
CID 55152906
2-amino-4,6-dichloro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127039
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide (CID 43255658) is 2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is VBGLZWPOPBDINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O3S/c1-16-3-2-13-17(14,15)9-7(11)4-6(10)5-8(9)12/h4-5,13H,2-3,12H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 299.18 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 43255658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).