2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide

C15H16N2O5S — CID 778405

IUPAC2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1OC
InChIInChI=1S/C15H16N2O5S/c1-21-13-8-7-10(9-14(13)22-2)23(19,20)17-12-6-4-3-5-11(12)15(16)18/h3-9,17H,1-2H3,(H2,16,18)
InChIKeyQINWAUIKVPNXBS-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.60
Rot. Bonds6

About 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide

2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide (PubChem CID 778405) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide
PubChem CID778405
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1OC
InChIInChI=1S/C15H16N2O5S/c1-21-13-8-7-10(9-14(13)22-2)23(19,20)17-12-6-4-3-5-11(12)15(16)18/h3-9,17H,1-2H3,(H2,16,18)
InChIKeyQINWAUIKVPNXBS-UHFFFAOYSA-N
XLogP1.60
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide (CID 778405) is 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide?
The InChIKey is QINWAUIKVPNXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-21-13-8-7-10(9-14(13)22-2)23(19,20)17-12-6-4-3-5-11(12)15(16)18/h3-9,17H,1-2H3,(H2,16,18).
What are the key properties of 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide?
2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide has a molecular weight of 336.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 778405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).