2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide

C27H26N2O5S — CID 87794018

IUPAC2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1-c1cc(S(N)(=O)=O)c(N)c(-c2ccccc2OC)c1-c1ccccc1OC
InChIInChI=1S/C27H26N2O5S/c1-32-21-13-7-4-10-17(21)20-16-24(35(29,30)31)27(28)26(19-12-6-9-15-23(19)34-3)25(20)18-11-5-8-14-22(18)33-2/h4-16H,28H2,1-3H3,(H2,29,30,31)
InChIKeyXNTLORNJLMYZJC-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.94
Rot. Bonds7

About 2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide

2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide (PubChem CID 87794018) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is 2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide
PubChem CID87794018
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC Name2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1-c1cc(S(N)(=O)=O)c(N)c(-c2ccccc2OC)c1-c1ccccc1OC
InChIInChI=1S/C27H26N2O5S/c1-32-21-13-7-4-10-17(21)20-16-24(35(29,30)31)27(28)26(19-12-6-9-15-23(19)34-3)25(20)18-11-5-8-14-22(18)33-2/h4-16H,28H2,1-3H3,(H2,29,30,31)
InChIKeyXNTLORNJLMYZJC-UHFFFAOYSA-N
XLogP4.94
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide (CID 87794018) is 2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1-c1cc(S(N)(=O)=O)c(N)c(-c2ccccc2OC)c1-c1ccccc1OC.
What is the InChIKey of 2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is XNTLORNJLMYZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-32-21-13-7-4-10-17(21)20-16-24(35(29,30)31)27(28)26(19-12-6-9-15-23(19)34-3)25(20)18-11-5-8-14-22(18)33-2/h4-16H,28H2,1-3H3,(H2,29,30,31).
What are the key properties of 2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide?
2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 490.58 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4,5-tris(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 87794018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).