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

C14H12ClN5O4S — CID 130406120

IUPAC5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(N)[nH]c3c2)cc(Cl)c1O
InChIInChI=1S/C14H12ClN5O4S/c15-9-5-7(4-8(12(9)21)13(16)22)25(23,24)20-6-1-2-10-11(3-6)19-14(17)18-10/h1-5,20-21H,(H2,16,22)(H3,17,18,19)
InChIKeyMFPCBRPACTWPOH-UHFFFAOYSA-N
MW381.80 g/mol
LogP1.40
Rot. Bonds4

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

5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide (PubChem CID 130406120) has the molecular formula C14H12ClN5O4S and a molecular weight of 381.80 g/mol. Its IUPAC name is 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide
PubChem CID130406120
Molecular FormulaC14H12ClN5O4S
Molecular Weight381.80 g/mol
Exact Mass381.03
IUPAC Name5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(N)[nH]c3c2)cc(Cl)c1O
InChIInChI=1S/C14H12ClN5O4S/c15-9-5-7(4-8(12(9)21)13(16)22)25(23,24)20-6-1-2-10-11(3-6)19-14(17)18-10/h1-5,20-21H,(H2,16,22)(H3,17,18,19)
InChIKeyMFPCBRPACTWPOH-UHFFFAOYSA-N
XLogP1.40
TPSA164.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.80
LogP ≤ 51.40
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]-3-chloro-2-hydroxybenzamide?
The IUPAC name of 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide (CID 130406120) is 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide.
What is the SMILES notation for 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide?
The canonical SMILES for 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide is NC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(N)[nH]c3c2)cc(Cl)c1O.
What is the InChIKey of 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide?
The InChIKey is MFPCBRPACTWPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O4S/c15-9-5-7(4-8(12(9)21)13(16)22)25(23,24)20-6-1-2-10-11(3-6)19-14(17)18-10/h1-5,20-21H,(H2,16,22)(H3,17,18,19).
What are the key properties of 5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide?
5-[(2-amino-3H-benzimidazol-5-yl)sulfamoyl]-3-chloro-2-hydroxybenzamide has a molecular weight of 381.80 g/mol, XLogP of 1.40, 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]-3-chloro-2-hydroxybenzamide is sourced from PubChem (CID 130406120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).