2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide

C22H20N4O4S — CID 146021640

IUPAC2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1C(N)=O
InChIInChI=1S/C22H20N4O4S/c1-13-3-9-18-19(11-13)25-22(24-18)14-4-6-15(7-5-14)26-31(28,29)16-8-10-20(30-2)17(12-16)21(23)27/h3-12,26H,1-2H3,(H2,23,27)(H,24,25)
InChIKeyKZLXMSFSUUDQNP-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.45
Rot. Bonds6

About 2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide

2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide (PubChem CID 146021640) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide
PubChem CID146021640
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1C(N)=O
InChIInChI=1S/C22H20N4O4S/c1-13-3-9-18-19(11-13)25-22(24-18)14-4-6-15(7-5-14)26-31(28,29)16-8-10-20(30-2)17(12-16)21(23)27/h3-12,26H,1-2H3,(H2,23,27)(H,24,25)
InChIKeyKZLXMSFSUUDQNP-UHFFFAOYSA-N
XLogP3.45
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275
2-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10115542
2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide
CID 122286502
3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17360789
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
3,4-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 2821932
2-methoxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzamide
CID 146024539
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
5-[[2-(dimethylamino)pyrimidin-5-yl]sulfamoyl]-2-methoxybenzamide
CID 122298121
2-methoxy-5-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
CID 39324008

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide?
The IUPAC name of 2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide (CID 146021640) is 2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for 2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide?
The InChIKey is KZLXMSFSUUDQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-13-3-9-18-19(11-13)25-22(24-18)14-4-6-15(7-5-14)26-31(28,29)16-8-10-20(30-2)17(12-16)21(23)27/h3-12,26H,1-2H3,(H2,23,27)(H,24,25).
What are the key properties of 2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide?
2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 146021640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).