N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide

C14H10Cl2N4O3S — CID 138377179

IUPACN-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc32)c(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N4O3S/c15-9-6-10(16)13(24(17,22)23)5-8(9)14(21)19-20-7-18-11-3-1-2-4-12(11)20/h1-7H,(H,19,21)(H2,17,22,23)
InChIKeyAKBIFIJQRGIDLH-UHFFFAOYSA-N
MW385.23 g/mol
LogP2.37
Rot. Bonds3

About N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide

N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide (PubChem CID 138377179) has the molecular formula C14H10Cl2N4O3S and a molecular weight of 385.23 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide
PubChem CID138377179
Molecular FormulaC14H10Cl2N4O3S
Molecular Weight385.23 g/mol
Exact Mass383.99
IUPAC NameN-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc32)c(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N4O3S/c15-9-6-10(16)13(24(17,22)23)5-8(9)14(21)19-20-7-18-11-3-1-2-4-12(11)20/h1-7H,(H,19,21)(H2,17,22,23)
InChIKeyAKBIFIJQRGIDLH-UHFFFAOYSA-N
XLogP2.37
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide?
The IUPAC name of N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide (CID 138377179) is N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide?
The canonical SMILES for N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)Nn2cnc3ccccc32)c(Cl)cc1Cl.
What is the InChIKey of N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide?
The InChIKey is AKBIFIJQRGIDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O3S/c15-9-6-10(16)13(24(17,22)23)5-8(9)14(21)19-20-7-18-11-3-1-2-4-12(11)20/h1-7H,(H,19,21)(H2,17,22,23).
What are the key properties of N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide?
N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide has a molecular weight of 385.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide is sourced from PubChem (CID 138377179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).