2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide

C17H22N2O4S — CID 112979777

IUPAC2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C17H22N2O4S/c1-4-11-18-13-5-7-14(8-6-13)19-24(20,21)17-10-9-15(22-2)12-16(17)23-3/h5-10,12,18-19H,4,11H2,1-3H3
InChIKeyGRIIINACURWKKT-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.33
Rot. Bonds8

About 2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide

2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide (PubChem CID 112979777) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
PubChem CID112979777
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
SMILESCCCNc1ccc(NS(=O)(=O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C17H22N2O4S/c1-4-11-18-13-5-7-14(8-6-13)19-24(20,21)17-10-9-15(22-2)12-16(17)23-3/h5-10,12,18-19H,4,11H2,1-3H3
InChIKeyGRIIINACURWKKT-UHFFFAOYSA-N
XLogP3.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2,4-dimethoxy-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023515
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378
N-(2-ethoxypyrimidin-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 122302182
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide (CID 112979777) is 2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide is CCCNc1ccc(NS(=O)(=O)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide?
The InChIKey is GRIIINACURWKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-4-11-18-13-5-7-14(8-6-13)19-24(20,21)17-10-9-15(22-2)12-16(17)23-3/h5-10,12,18-19H,4,11H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide?
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide has a molecular weight of 350.44 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112979777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).