2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide

C19H25NO4S — CID 22204679

IUPAC2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
SMILESCCCc1ccc(C(C)NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H25NO4S/c1-5-6-15-7-9-16(10-8-15)14(2)20-25(21,22)19-13-17(23-3)11-12-18(19)24-4/h7-14,20H,5-6H2,1-4H3
InChIKeyLSKOPJZHDTYVGW-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.70
Rot. Bonds8

About 2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide

2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide (PubChem CID 22204679) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
PubChem CID22204679
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
SMILESCCCc1ccc(C(C)NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C19H25NO4S/c1-5-6-15-7-9-16(10-8-15)14(2)20-25(21,22)19-13-17(23-3)11-12-18(19)24-4/h7-14,20H,5-6H2,1-4H3
InChIKeyLSKOPJZHDTYVGW-UHFFFAOYSA-N
XLogP3.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 22201245
N-ethyl-4-methoxy-3-[1-(4-methoxyphenyl)ethylsulfamoyl]benzamide
CID 133239571
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide (CID 22204679) is 2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide is CCCc1ccc(C(C)NS(=O)(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
The InChIKey is LSKOPJZHDTYVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-5-6-15-7-9-16(10-8-15)14(2)20-25(21,22)19-13-17(23-3)11-12-18(19)24-4/h7-14,20H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22204679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).