5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide

C14H13N5O4S — CID 130406279

IUPAC5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(N)[nH]c3c2)ccc1O
InChIInChI=1S/C14H13N5O4S/c15-13(21)9-6-8(2-4-12(9)20)24(22,23)19-7-1-3-10-11(5-7)18-14(16)17-10/h1-6,19-20H,(H2,15,21)(H3,16,17,18)
InChIKeyUBPWRYZOLDOZTP-UHFFFAOYSA-N
MW347.36 g/mol
LogP0.75
Rot. Bonds4

About 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide

5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide (PubChem CID 130406279) has the molecular formula C14H13N5O4S and a molecular weight of 347.36 g/mol. Its IUPAC name is 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
PubChem CID130406279
Molecular FormulaC14H13N5O4S
Molecular Weight347.36 g/mol
Exact Mass347.07
IUPAC Name5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(N)[nH]c3c2)ccc1O
InChIInChI=1S/C14H13N5O4S/c15-13(21)9-6-8(2-4-12(9)20)24(22,23)19-7-1-3-10-11(5-7)18-14(16)17-10/h1-6,19-20H,(H2,15,21)(H3,16,17,18)
InChIKeyUBPWRYZOLDOZTP-UHFFFAOYSA-N
XLogP0.75
TPSA164.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 50.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
The IUPAC name of 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide (CID 130406279) is 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide is NC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(N)[nH]c3c2)ccc1O.
What is the InChIKey of 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
The InChIKey is UBPWRYZOLDOZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4S/c15-13(21)9-6-8(2-4-12(9)20)24(22,23)19-7-1-3-10-11(5-7)18-14(16)17-10/h1-6,19-20H,(H2,15,21)(H3,16,17,18).
What are the key properties of 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide?
5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide has a molecular weight of 347.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-2-hydroxybenzamide is sourced from PubChem (CID 130406279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).