N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide

C16H16N4O4S — CID 77090238

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H16N4O4S/c1-24-14-7-6-10(25(17,22)23)8-11(14)16(21)18-9-15-19-12-4-2-3-5-13(12)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyAIOCPJRQVVAEMS-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.15
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide (PubChem CID 77090238) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide
PubChem CID77090238
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H16N4O4S/c1-24-14-7-6-10(25(17,22)23)8-11(14)16(21)18-9-15-19-12-4-2-3-5-13(12)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyAIOCPJRQVVAEMS-UHFFFAOYSA-N
XLogP1.15
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
CID 146022195
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-methoxy-5-sulfamoylbenzamide
CID 41153080
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 9495729
N-(1H-benzimidazol-2-ylmethyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 125432858
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 51143916
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
CID 106509697
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide (CID 77090238) is N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is AIOCPJRQVVAEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-24-14-7-6-10(25(17,22)23)8-11(14)16(21)18-9-15-19-12-4-2-3-5-13(12)20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)(H2,17,22,23).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 360.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 77090238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).