6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide

C14H10Cl2N6O4S2 — CID 13289712

IUPAC6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2[nH]c(-c3nc4cc(Cl)c(S(N)(=O)=O)cc4[nH]3)nc2cc1Cl
InChIInChI=1S/C14H10Cl2N6O4S2/c15-5-1-7-9(3-11(5)27(17,23)24)21-13(19-7)14-20-8-2-6(16)12(28(18,25)26)4-10(8)22-14/h1-4H,(H,19,21)(H,20,22)(H2,17,23,24)(H2,18,25,26)
InChIKeyDOKOMKZRDOQCQC-UHFFFAOYSA-N
MW461.31 g/mol
LogP1.71
Rot. Bonds3

About 6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide

6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide (PubChem CID 13289712) has the molecular formula C14H10Cl2N6O4S2 and a molecular weight of 461.31 g/mol. Its IUPAC name is 6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide
PubChem CID13289712
Molecular FormulaC14H10Cl2N6O4S2
Molecular Weight461.31 g/mol
Exact Mass459.96
IUPAC Name6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide
SMILESNS(=O)(=O)c1cc2[nH]c(-c3nc4cc(Cl)c(S(N)(=O)=O)cc4[nH]3)nc2cc1Cl
InChIInChI=1S/C14H10Cl2N6O4S2/c15-5-1-7-9(3-11(5)27(17,23)24)21-13(19-7)14-20-8-2-6(16)12(28(18,25)26)4-10(8)22-14/h1-4H,(H,19,21)(H,20,22)(H2,17,23,24)(H2,18,25,26)
InChIKeyDOKOMKZRDOQCQC-UHFFFAOYSA-N
XLogP1.71
TPSA177.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.31
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide (CID 13289712) is 6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide is NS(=O)(=O)c1cc2[nH]c(-c3nc4cc(Cl)c(S(N)(=O)=O)cc4[nH]3)nc2cc1Cl.
What is the InChIKey of 6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is DOKOMKZRDOQCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N6O4S2/c15-5-1-7-9(3-11(5)27(17,23)24)21-13(19-7)14-20-8-2-6(16)12(28(18,25)26)4-10(8)22-14/h1-4H,(H,19,21)(H,20,22)(H2,17,23,24)(H2,18,25,26).
What are the key properties of 6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide?
6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 461.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-chloro-6-sulfamoyl-1H-benzimidazol-2-yl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 13289712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).