4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide

C13H20Cl2N2O2S — CID 79478104

IUPAC4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C13H20Cl2N2O2S/c1-4-9(3)8-17(5-2)20(18,19)13-11(14)6-10(16)7-12(13)15/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyLEOCHOHIDSWFAK-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.63
Rot. Bonds6

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

4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 79478104) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
PubChem CID79478104
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C13H20Cl2N2O2S/c1-4-9(3)8-17(5-2)20(18,19)13-11(14)6-10(16)7-12(13)15/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyLEOCHOHIDSWFAK-UHFFFAOYSA-N
XLogP3.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79471583
3-amino-N-ethyl-2,6-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79477818
3-(aminomethyl)-2,4-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79472645
2,4-dichloro-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79471473
3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79889083
4-amino-2-[ethyl(2-methylbutyl)sulfamoyl]benzoic acid
CID 102931373
4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 61139208
4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61113304
3,5-dichloro-4-ethylsulfonylaniline
CID 106891277
2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide
CID 79481379
4-amino-2,6-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295470
5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79471703

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide (CID 79478104) is 4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(CC)S(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is LEOCHOHIDSWFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2S/c1-4-9(3)8-17(5-2)20(18,19)13-11(14)6-10(16)7-12(13)15/h6-7,9H,4-5,8,16H2,1-3H3.
What are the key properties of 4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 339.29 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 79478104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).