5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide

C17H9BrClN3O2S — CID 17274343

IUPAC5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H9BrClN3O2S/c18-10-3-1-9(2-4-10)13-7-8-14(24-13)17(23)20-15-11(19)5-6-12-16(15)22-25-21-12/h1-8H,(H,20,23)
InChIKeyGQXAZUSXXYZTHE-UHFFFAOYSA-N
MW434.70 g/mol
LogP5.62
Rot. Bonds3

About 5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide

5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide (PubChem CID 17274343) has the molecular formula C17H9BrClN3O2S and a molecular weight of 434.70 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
PubChem CID17274343
Molecular FormulaC17H9BrClN3O2S
Molecular Weight434.70 g/mol
Exact Mass432.93
IUPAC Name5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H9BrClN3O2S/c18-10-3-1-9(2-4-10)13-7-8-14(24-13)17(23)20-15-11(19)5-6-12-16(15)22-25-21-12/h1-8H,(H,20,23)
InChIKeyGQXAZUSXXYZTHE-UHFFFAOYSA-N
XLogP5.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.70
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1372159
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CID 2273874
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CID 2995137
CID 2995137
CID 17219986
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CID 1334926
CID 1334926
CID 1490242
CID 1490242
CID 2890095
CID 2890095
CID 5170890
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CID 15998905
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CID 20897489
CID 20897489

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide (CID 17274343) is 5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide is O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The InChIKey is GQXAZUSXXYZTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrClN3O2S/c18-10-3-1-9(2-4-10)13-7-8-14(24-13)17(23)20-15-11(19)5-6-12-16(15)22-25-21-12/h1-8H,(H,20,23).
What are the key properties of 5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide has a molecular weight of 434.70 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 17274343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).