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

C9H12Cl2N2O3S — CID 43256954

IUPAC4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H12Cl2N2O3S/c1-16-3-2-13-17(14,15)9-7(10)4-6(12)5-8(9)11/h4-5,13H,2-3,12H2,1H3
InChIKeyHREKPWZOAIINOH-UHFFFAOYSA-N
MW299.18 g/mol
LogP1.50
Rot. Bonds5

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

4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 43256954) has the molecular formula C9H12Cl2N2O3S and a molecular weight of 299.18 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID43256954
Molecular FormulaC9H12Cl2N2O3S
Molecular Weight299.18 g/mol
Exact Mass297.99
IUPAC Name4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H12Cl2N2O3S/c1-16-3-2-13-17(14,15)9-7(10)4-6(12)5-8(9)11/h4-5,13H,2-3,12H2,1H3
InChIKeyHREKPWZOAIINOH-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

4-Amino-2,6-dichlorobenzene-1-sulfonamide
CID 22050186
4-amino-2-chloro-N-methylbenzene-1-sulfonamide
CID 29790775
Benzenesulfonamide, 4-amino-2,5-dichloro-N-ethyl-
CID 100923
4-amino-2-chloro-N-ethylbenzene-1-sulfonamide
CID 29043473
4-amino-3,5-dichloro-N-[(2S)-4-methoxybutan-2-yl]benzenesulfonamide
CID 97574794
4-amino-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29553399
5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 43256953
5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 43258188
4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43258401
5-amino-3-chloro-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide
CID 43590963
4-amino-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 55176294
4-amino-2,6-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891724

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide (CID 43256954) is 4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is HREKPWZOAIINOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O3S/c1-16-3-2-13-17(14,15)9-7(10)4-6(12)5-8(9)11/h4-5,13H,2-3,12H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide?
4-amino-2,6-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 4-amino-2,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 43256954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).