3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide

C11H11N5O3S — CID 81471489

IUPAC3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2ncccn2)c(N)c1
InChIInChI=1S/C11H11N5O3S/c12-8-6-7(10(13)17)2-3-9(8)20(18,19)16-11-14-4-1-5-15-11/h1-6H,12H2,(H2,13,17)(H,14,15,16)
InChIKeySNKLLOZUDAOUIT-UHFFFAOYSA-N
MW293.31 g/mol
LogP-0.04
Rot. Bonds4

About 3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide

3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide (PubChem CID 81471489) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
PubChem CID81471489
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2ncccn2)c(N)c1
InChIInChI=1S/C11H11N5O3S/c12-8-6-7(10(13)17)2-3-9(8)20(18,19)16-11-14-4-1-5-15-11/h1-6H,12H2,(H2,13,17)(H,14,15,16)
InChIKeySNKLLOZUDAOUIT-UHFFFAOYSA-N
XLogP-0.04
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide
CID 81465769
3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide
CID 81470896
3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide
CID 81452826
2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide
CID 104617145
3-amino-4-(cyclobutylsulfamoyl)benzamide
CID 81471203
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
3-amino-4-(4-methylpentan-2-ylsulfamoyl)benzamide
CID 81470893
3-[(2-amino-4-fluorophenyl)sulfonylamino]benzamide
CID 61105800
3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 113485239
methyl 3-amino-4-(pyridazin-3-ylsulfamoyl)benzoate
CID 116786194

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide?
The IUPAC name of 3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide (CID 81471489) is 3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide?
The canonical SMILES for 3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide is NC(=O)c1ccc(S(=O)(=O)Nc2ncccn2)c(N)c1.
What is the InChIKey of 3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide?
The InChIKey is SNKLLOZUDAOUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c12-8-6-7(10(13)17)2-3-9(8)20(18,19)16-11-14-4-1-5-15-11/h1-6H,12H2,(H2,13,17)(H,14,15,16).
What are the key properties of 3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide?
3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide has a molecular weight of 293.31 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 81471489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).