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

C11H17ClN2O3S — CID 81053351

IUPAC2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H17ClN2O3S/c1-3-17-7-6-14(2)18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyPLYMBYOCJZYMIT-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.58
Rot. Bonds6

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

2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 81053351) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
PubChem CID81053351
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H17ClN2O3S/c1-3-17-7-6-14(2)18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyPLYMBYOCJZYMIT-UHFFFAOYSA-N
XLogP1.58
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide (CID 81053351) is 2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is PLYMBYOCJZYMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-3-17-7-6-14(2)18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide?
2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 81053351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).