4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide

C21H21N3O6S2 — CID 2519306

IUPAC4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H21N3O6S2/c1-30-20-5-3-2-4-19(20)24-32(28,29)18-12-8-16(9-13-18)21(25)23-14-15-6-10-17(11-7-15)31(22,26)27/h2-13,24H,14H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyMJAGUXCQKIJETP-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.07
Rot. Bonds8

About 4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide

4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 2519306) has the molecular formula C21H21N3O6S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID2519306
Molecular FormulaC21H21N3O6S2
Molecular Weight475.55 g/mol
Exact Mass475.09
IUPAC Name4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H21N3O6S2/c1-30-20-5-3-2-4-19(20)24-32(28,29)18-12-8-16(9-13-18)21(25)23-14-15-6-10-17(11-7-15)31(22,26)27/h2-13,24H,14H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyMJAGUXCQKIJETP-UHFFFAOYSA-N
XLogP2.07
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 2519306) is 4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is MJAGUXCQKIJETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S2/c1-30-20-5-3-2-4-19(20)24-32(28,29)18-12-8-16(9-13-18)21(25)23-14-15-6-10-17(11-7-15)31(22,26)27/h2-13,24H,14H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of 4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide?
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 2519306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).