4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide

C12H19ClN2O3S — CID 63696287

IUPAC4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-3-15(7-8-18-4-2)19(16,17)12-6-5-10(14)9-11(12)13/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyWWAQXZUUWJIWJN-UHFFFAOYSA-N
MW306.82 g/mol
LogP1.97
Rot. Bonds7

About 4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide

4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide (PubChem CID 63696287) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
PubChem CID63696287
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC Name4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
SMILESCCOCCN(CC)S(=O)(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H19ClN2O3S/c1-3-15(7-8-18-4-2)19(16,17)12-6-5-10(14)9-11(12)13/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyWWAQXZUUWJIWJN-UHFFFAOYSA-N
XLogP1.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.97
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-N-(2-ethoxyethyl)-N-ethyl-2-nitrobenzenesulfonamide
CID 63691664
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63695936
5-amino-2-chloro-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63695748
4-amino-2-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61138325
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587561
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63698233
4-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61139448
5-amino-2-[(Z)-2-[4-amino-2-[bis(2-ethoxyethyl)sulfamoyl]phenyl]ethenyl]-N,N-bis(2-ethoxyethyl)benzenesulfonamide
CID 5380153
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63691305
4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 61444696
4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide (CID 63696287) is 4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide is CCOCCN(CC)S(=O)(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
The InChIKey is WWAQXZUUWJIWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-3-15(7-8-18-4-2)19(16,17)12-6-5-10(14)9-11(12)13/h5-6,9H,3-4,7-8,14H2,1-2H3.
What are the key properties of 4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide?
4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide has a molecular weight of 306.82 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 63696287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).