4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide

C12H18ClNO3S — CID 23799088

IUPAC4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C12H18ClNO3S/c1-9-8-12(10(2)7-11(9)13)18(15,16)14(3)5-6-17-4/h7-8H,5-6H2,1-4H3
InChIKeyIKYADKBGZQZWGA-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.22
Rot. Bonds5

About 4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide

4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide (PubChem CID 23799088) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide
PubChem CID23799088
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC Name4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C12H18ClNO3S/c1-9-8-12(10(2)7-11(9)13)18(15,16)14(3)5-6-17-4/h7-8H,5-6H2,1-4H3
InChIKeyIKYADKBGZQZWGA-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide (CID 23799088) is 4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1cc(C)c(Cl)cc1C.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is IKYADKBGZQZWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-9-8-12(10(2)7-11(9)13)18(15,16)14(3)5-6-17-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide?
4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 23799088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).