3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide

C16H16ClN5O4S — CID 130406143

IUPAC3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide
SMILESCCNc1nc2ccc(NS(=O)(=O)c3cc(Cl)c(O)c(C(N)=O)c3)cc2[nH]1
InChIInChI=1S/C16H16ClN5O4S/c1-2-19-16-20-12-4-3-8(5-13(12)21-16)22-27(25,26)9-6-10(15(18)24)14(23)11(17)7-9/h3-7,22-23H,2H2,1H3,(H2,18,24)(H2,19,20,21)
InChIKeyMXWCUHHAVZTXJB-UHFFFAOYSA-N
MW409.86 g/mol
LogP2.25
Rot. Bonds6

About 3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide

3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide (PubChem CID 130406143) has the molecular formula C16H16ClN5O4S and a molecular weight of 409.86 g/mol. Its IUPAC name is 3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide
PubChem CID130406143
Molecular FormulaC16H16ClN5O4S
Molecular Weight409.86 g/mol
Exact Mass409.06
IUPAC Name3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide
SMILESCCNc1nc2ccc(NS(=O)(=O)c3cc(Cl)c(O)c(C(N)=O)c3)cc2[nH]1
InChIInChI=1S/C16H16ClN5O4S/c1-2-19-16-20-12-4-3-8(5-13(12)21-16)22-27(25,26)9-6-10(15(18)24)14(23)11(17)7-9/h3-7,22-23H,2H2,1H3,(H2,18,24)(H2,19,20,21)
InChIKeyMXWCUHHAVZTXJB-UHFFFAOYSA-N
XLogP2.25
TPSA150.20 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.86
LogP ≤ 52.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide?
The IUPAC name of 3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide (CID 130406143) is 3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide.
What is the SMILES notation for 3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide?
The canonical SMILES for 3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide is CCNc1nc2ccc(NS(=O)(=O)c3cc(Cl)c(O)c(C(N)=O)c3)cc2[nH]1.
What is the InChIKey of 3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide?
The InChIKey is MXWCUHHAVZTXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O4S/c1-2-19-16-20-12-4-3-8(5-13(12)21-16)22-27(25,26)9-6-10(15(18)24)14(23)11(17)7-9/h3-7,22-23H,2H2,1H3,(H2,18,24)(H2,19,20,21).
What are the key properties of 3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide?
3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide has a molecular weight of 409.86 g/mol, XLogP of 2.25, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[2-(ethylamino)-3H-benzimidazol-5-yl]sulfamoyl]-2-hydroxybenzamide is sourced from PubChem (CID 130406143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).