3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide

C11H13N5O3S — CID 63980035

IUPAC3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide
SMILESCn1cnc(N)c1S(=O)(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C11H13N5O3S/c1-16-6-14-9(12)11(16)20(18,19)15-8-4-2-3-7(5-8)10(13)17/h2-6,15H,12H2,1H3,(H2,13,17)
InChIKeyIIHZREDMPKEFQM-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.10
Rot. Bonds4

About 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide

3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide (PubChem CID 63980035) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide
PubChem CID63980035
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide
SMILESCn1cnc(N)c1S(=O)(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C11H13N5O3S/c1-16-6-14-9(12)11(16)20(18,19)15-8-4-2-3-7(5-8)10(13)17/h2-6,15H,12H2,1H3,(H2,13,17)
InChIKeyIIHZREDMPKEFQM-UHFFFAOYSA-N
XLogP-0.10
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide (CID 63980035) is 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide is Cn1cnc(N)c1S(=O)(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide?
The InChIKey is IIHZREDMPKEFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-16-6-14-9(12)11(16)20(18,19)15-8-4-2-3-7(5-8)10(13)17/h2-6,15H,12H2,1H3,(H2,13,17).
What are the key properties of 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide?
3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide has a molecular weight of 295.32 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-3-methylimidazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 63980035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).