3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide

C13H20ClNO3S — CID 850023

IUPAC3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C13H20ClNO3S/c1-6-15(7-2)19(16,17)13-10(4)12(14)9(3)8-11(13)18-5/h8H,6-7H2,1-5H3
InChIKeyKDFYBFANYGXNJB-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.00
Rot. Bonds5

About 3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide

3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide (PubChem CID 850023) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide
PubChem CID850023
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C13H20ClNO3S/c1-6-15(7-2)19(16,17)13-10(4)12(14)9(3)8-11(13)18-5/h8H,6-7H2,1-5H3
InChIKeyKDFYBFANYGXNJB-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide (CID 850023) is 3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1c(OC)cc(C)c(Cl)c1C.
What is the InChIKey of 3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide?
The InChIKey is KDFYBFANYGXNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-6-15(7-2)19(16,17)13-10(4)12(14)9(3)8-11(13)18-5/h8H,6-7H2,1-5H3.
What are the key properties of 3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide?
3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide has a molecular weight of 305.83 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 850023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).