4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide

C11H16Cl2N2O3S — CID 81052803

IUPAC4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H16Cl2N2O3S/c1-3-18-5-4-15(2)19(16,17)11-9(12)6-8(14)7-10(11)13/h6-7H,3-5,14H2,1-2H3
InChIKeyZXZPXBIVELWPFH-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.23
Rot. Bonds6

About 4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide

4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 81052803) has the molecular formula C11H16Cl2N2O3S and a molecular weight of 327.23 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
PubChem CID81052803
Molecular FormulaC11H16Cl2N2O3S
Molecular Weight327.23 g/mol
Exact Mass326.03
IUPAC Name4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H16Cl2N2O3S/c1-3-18-5-4-15(2)19(16,17)11-9(12)6-8(14)7-10(11)13/h6-7H,3-5,14H2,1-2H3
InChIKeyZXZPXBIVELWPFH-UHFFFAOYSA-N
XLogP2.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
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-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053036
2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053351
4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106914013
2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
CID 81053826
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932
4-bromo-2,6-dichloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 54978994
3,5-dichloro-4-ethylsulfonylaniline
CID 106891277
4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63696287
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide (CID 81052803) is 4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is ZXZPXBIVELWPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O3S/c1-3-18-5-4-15(2)19(16,17)11-9(12)6-8(14)7-10(11)13/h6-7H,3-5,14H2,1-2H3.
What are the key properties of 4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 327.23 g/mol, XLogP of 2.23, 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-ethoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 81052803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).