5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide

C13H20ClNO3S — CID 850051

IUPAC5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C13H20ClNO3S/c1-5-15(6-2)19(16,17)13-9-11(14)10(4)8-12(13)18-7-3/h8-9H,5-7H2,1-4H3
InChIKeyLYLFXVFXEJNSJU-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.08
Rot. Bonds6

About 5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide

5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide (PubChem CID 850051) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide
PubChem CID850051
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C13H20ClNO3S/c1-5-15(6-2)19(16,17)13-9-11(14)10(4)8-12(13)18-7-3/h8-9H,5-7H2,1-4H3
InChIKeyLYLFXVFXEJNSJU-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide (CID 850051) is 5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide is CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide?
The InChIKey is LYLFXVFXEJNSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-5-15(6-2)19(16,17)13-9-11(14)10(4)8-12(13)18-7-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide?
5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide has a molecular weight of 305.83 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 850051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).