2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide

C14H23ClN2O2S — CID 43587327

IUPAC2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H23ClN2O2S/c1-4-11(5-2)10-17(6-3)20(18,19)14-8-7-12(15)9-13(14)16/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyGDWDISSAGGSQLT-UHFFFAOYSA-N
MW318.87 g/mol
LogP3.37
Rot. Bonds7

About 2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide

2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide (PubChem CID 43587327) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
PubChem CID43587327
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H23ClN2O2S/c1-4-11(5-2)10-17(6-3)20(18,19)14-8-7-12(15)9-13(14)16/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyGDWDISSAGGSQLT-UHFFFAOYSA-N
XLogP3.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 53.37
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

3-amino-5-chloro-N-ethyl-N-(2-ethylbutyl)-2-methylbenzenesulfonamide
CID 114378979
3-amino-2-bromo-5-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 62956358
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
2-amino-4-chloro-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61113089
2-amino-4-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61140226
methyl 2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetate
CID 54998458
4-amino-2-cyano-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide
CID 43587343
2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63401799
3-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910660
2-amino-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61106855
2-amino-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61138586
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide (CID 43587327) is 2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide is CCC(CC)CN(CC)S(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide?
The InChIKey is GDWDISSAGGSQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-4-11(5-2)10-17(6-3)20(18,19)14-8-7-12(15)9-13(14)16/h7-9,11H,4-6,10,16H2,1-3H3.
What are the key properties of 2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide?
2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide has a molecular weight of 318.87 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-ethyl-N-(2-ethylbutyl)benzenesulfonamide is sourced from PubChem (CID 43587327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).