5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide

C11H16ClNO3S — CID 2237427

IUPAC5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H16ClNO3S/c1-5-16-10-6-8(2)9(12)7-11(10)17(14,15)13(3)4/h6-7H,5H2,1-4H3
InChIKeyIRUJXVMQCFEDCT-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.30
Rot. Bonds4

About 5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide

5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide (PubChem CID 2237427) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide
PubChem CID2237427
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H16ClNO3S/c1-5-16-10-6-8(2)9(12)7-11(10)17(14,15)13(3)4/h6-7H,5H2,1-4H3
InChIKeyIRUJXVMQCFEDCT-UHFFFAOYSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.30
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,4-trimethylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide (CID 2237427) is 5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide is CCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide?
The InChIKey is IRUJXVMQCFEDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-5-16-10-6-8(2)9(12)7-11(10)17(14,15)13(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide?
5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.30, 4 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,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 2237427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).