ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate

C19H21N3O5S — CID 119037523

IUPACethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC(C)c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C19H21N3O5S/c1-4-27-19(23)13-5-8-15(9-6-13)28(24,25)22-12(2)18-20-16-10-7-14(26-3)11-17(16)21-18/h5-12,22H,4H2,1-3H3,(H,20,21)
InChIKeyRVZFUIMSVLDIFH-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.79
Rot. Bonds7

About ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate

ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate (PubChem CID 119037523) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate
PubChem CID119037523
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Nameethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC(C)c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C19H21N3O5S/c1-4-27-19(23)13-5-8-15(9-6-13)28(24,25)22-12(2)18-20-16-10-7-14(26-3)11-17(16)21-18/h5-12,22H,4H2,1-3H3,(H,20,21)
InChIKeyRVZFUIMSVLDIFH-UHFFFAOYSA-N
XLogP2.79
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
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CID 23744672
3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide
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ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
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ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate
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CID 143432301
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
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CID 67626319

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate?
The IUPAC name of ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate (CID 119037523) is ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NC(C)c2nc3ccc(OC)cc3[nH]2)cc1.
What is the InChIKey of ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate?
The InChIKey is RVZFUIMSVLDIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-4-27-19(23)13-5-8-15(9-6-13)28(24,25)22-12(2)18-20-16-10-7-14(26-3)11-17(16)21-18/h5-12,22H,4H2,1-3H3,(H,20,21).
What are the key properties of ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate?
ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate has a molecular weight of 403.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethylsulfamoyl]benzoate is sourced from PubChem (CID 119037523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).