N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide

C17H21NO3S — CID 66485774

IUPACN-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C17H21NO3S/c1-5-18(15-9-7-6-8-10-15)22(19,20)17-12-14(3)13(2)11-16(17)21-4/h6-12H,5H2,1-4H3
InChIKeyCMPNHICVZVZKIW-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.53
Rot. Bonds5

About N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide

N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide (PubChem CID 66485774) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
PubChem CID66485774
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C17H21NO3S/c1-5-18(15-9-7-6-8-10-15)22(19,20)17-12-14(3)13(2)11-16(17)21-4/h6-12H,5H2,1-4H3
InChIKeyCMPNHICVZVZKIW-UHFFFAOYSA-N
XLogP3.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 768929
2-bromo-N-ethyl-4,5-dimethoxy-N-phenylbenzenesulfonamide
CID 9055831
5-chloro-N-ethyl-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485815
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide
CID 60609634
5-[ethyl-(3-methoxy-4-phenylmethoxyphenyl)sulfamoyl]-4-methoxy-2-methylbenzoic acid
CID 69236565
N-(4,5-dimethoxy-2-methylphenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17429226
[2-(2-methoxyphenyl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 16535076
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
(5-acetyl-2-methoxyphenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609242
N-ethyl-N-(3-fluorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 60534153
N-ethyl-1,4,7-trimethyl-2,3-dioxo-N-phenylquinoxaline-6-sulfonamide
CID 20914041

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide (CID 66485774) is N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C)c(C)cc1OC.
What is the InChIKey of N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide?
The InChIKey is CMPNHICVZVZKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-5-18(15-9-7-6-8-10-15)22(19,20)17-12-14(3)13(2)11-16(17)21-4/h6-12H,5H2,1-4H3.
What are the key properties of N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide?
N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 66485774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).