4-(3,4,5-trimethoxyphenyl)benzenesulfonamide

C15H17NO5S — CID 127038553

IUPAC4-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C15H17NO5S/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-4-6-12(7-5-10)22(16,17)18/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyGUHMJKPMFNHUCM-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.03
Rot. Bonds5

About 4-(3,4,5-trimethoxyphenyl)benzenesulfonamide

4-(3,4,5-trimethoxyphenyl)benzenesulfonamide (PubChem CID 127038553) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenyl)benzenesulfonamide
PubChem CID127038553
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name4-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC
InChIInChI=1S/C15H17NO5S/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-4-6-12(7-5-10)22(16,17)18/h4-9H,1-3H3,(H2,16,17,18)
InChIKeyGUHMJKPMFNHUCM-UHFFFAOYSA-N
XLogP2.03
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzene, 4-(2-(3,5-dimethoxyphenyl)ethyl)-1,2-dimethoxy-
CID 14079759
1,2,3-Trimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 364708
4-Methoxyphenyl-(3,4,5-trimethoxyphenyl)methane
CID 368141
4-[(1E,4E)-5-(3,4-dimethoxyphenyl)-3-oxopenta-1,4-dienyl]benzenesulfonamide
CID 155526811
(4-Methylphenyl) 3,4,5-trimethoxybenzenesulfonate
CID 9927805
3,4,5-Trimethoxyphenyl 4-methylbenzene-1-sulfonate
CID 10125891
4-[2-(3,4-Dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10621294
4-[1-(3,5-Dimethoxyphenyl)prop-1-enyl]-1,2-dimethoxybenzene
CID 69202629
[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate
CID 137451019
[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate
CID 137451112
[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate
CID 146626470
Chrysotobibenzyl
CID 3086528

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(3,4,5-trimethoxyphenyl)benzenesulfonamide (CID 127038553) is 4-(3,4,5-trimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3,4,5-trimethoxyphenyl)benzenesulfonamide is COc1cc(-c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The InChIKey is GUHMJKPMFNHUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-4-6-12(7-5-10)22(16,17)18/h4-9H,1-3H3,(H2,16,17,18).
What are the key properties of 4-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
4-(3,4,5-trimethoxyphenyl)benzenesulfonamide has a molecular weight of 323.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 127038553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).