3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide

C18H23NO5S — CID 46778268

IUPAC3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C18H23NO5S/c1-13(2)24-15-7-5-14(6-8-15)12-19-25(20,21)16-9-10-17(22-3)18(11-16)23-4/h5-11,13,19H,12H2,1-4H3
InChIKeyRGEIZISTBVQPMM-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.97
Rot. Bonds8

About 3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide

3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide (PubChem CID 46778268) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
PubChem CID46778268
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1OC
InChIInChI=1S/C18H23NO5S/c1-13(2)24-15-7-5-14(6-8-15)12-19-25(20,21)16-9-10-17(22-3)18(11-16)23-4/h5-11,13,19H,12H2,1-4H3
InChIKeyRGEIZISTBVQPMM-UHFFFAOYSA-N
XLogP2.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 55639328
3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665317
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9191426
methyl 2-bromo-5-[(4-propan-2-yloxyphenyl)methylsulfamoyl]benzoate
CID 55921674
4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 110782101
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 53285290
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
3,4-dimethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248759
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide (CID 46778268) is 3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The InChIKey is RGEIZISTBVQPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-13(2)24-15-7-5-14(6-8-15)12-19-25(20,21)16-9-10-17(22-3)18(11-16)23-4/h5-11,13,19H,12H2,1-4H3.
What are the key properties of 3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 46778268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).