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

C19H24N2O5S — CID 112981250

IUPAC2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCC3CCCO3)cc2)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-24-16-9-10-19(18(12-16)25-2)27(22,23)21-15-7-5-14(6-8-15)20-13-17-4-3-11-26-17/h5-10,12,17,20-21H,3-4,11,13H2,1-2H3
InChIKeyFKEDUCDFZMDHND-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.10
Rot. Bonds8

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

2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide (PubChem CID 112981250) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
PubChem CID112981250
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(NCC3CCCO3)cc2)c(OC)c1
InChIInChI=1S/C19H24N2O5S/c1-24-16-9-10-19(18(12-16)25-2)27(22,23)21-15-7-5-14(6-8-15)20-13-17-4-3-11-26-17/h5-10,12,17,20-21H,3-4,11,13H2,1-2H3
InChIKeyFKEDUCDFZMDHND-UHFFFAOYSA-N
XLogP3.10
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
2,4-dimethoxy-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzenesulfonamide
CID 113039856
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991374
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880189
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981233
propan-2-yl 3-[(4-methoxyphenyl)sulfamoyl]-4-(oxolan-2-ylmethylamino)benzoate
CID 133240954
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981235

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide (CID 112981250) is 2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(NCC3CCCO3)cc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
The InChIKey is FKEDUCDFZMDHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-24-16-9-10-19(18(12-16)25-2)27(22,23)21-15-7-5-14(6-8-15)20-13-17-4-3-11-26-17/h5-10,12,17,20-21H,3-4,11,13H2,1-2H3.
What are the key properties of 2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112981250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).