N-(5-amino-2-methoxyphenyl)sulfonylbenzamide

C14H14N2O4S — CID 154261942

IUPACN-(5-amino-2-methoxyphenyl)sulfonylbenzamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NC(=O)c1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-20-12-8-7-11(15)9-13(12)21(18,19)16-14(17)10-5-3-2-4-6-10/h2-9H,15H2,1H3,(H,16,17)
InChIKeyUOLJOMSSSIYGCZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.40
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)sulfonylbenzamide

N-(5-amino-2-methoxyphenyl)sulfonylbenzamide (PubChem CID 154261942) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)sulfonylbenzamide
PubChem CID154261942
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-(5-amino-2-methoxyphenyl)sulfonylbenzamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NC(=O)c1ccccc1
InChIInChI=1S/C14H14N2O4S/c1-20-12-8-7-11(15)9-13(12)21(18,19)16-14(17)10-5-3-2-4-6-10/h2-9H,15H2,1H3,(H,16,17)
InChIKeyUOLJOMSSSIYGCZ-UHFFFAOYSA-N
XLogP1.40
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)sulfonylbenzamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)sulfonylbenzamide (CID 154261942) is N-(5-amino-2-methoxyphenyl)sulfonylbenzamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)sulfonylbenzamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)sulfonylbenzamide is COc1ccc(N)cc1S(=O)(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)sulfonylbenzamide?
The InChIKey is UOLJOMSSSIYGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-12-8-7-11(15)9-13(12)21(18,19)16-14(17)10-5-3-2-4-6-10/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-2-methoxyphenyl)sulfonylbenzamide?
N-(5-amino-2-methoxyphenyl)sulfonylbenzamide has a molecular weight of 306.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)sulfonylbenzamide is sourced from PubChem (CID 154261942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).