N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide

C16H10ClN3O2S — CID 20897489

IUPACN-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nsnc3c2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H10ClN3O2S/c1-8-11-6-9(17)2-5-14(11)22-15(8)16(21)18-10-3-4-12-13(7-10)20-23-19-12/h2-7H,1H3,(H,18,21)
InChIKeyIWQVEZHNHMHXAQ-UHFFFAOYSA-N
MW343.80 g/mol
LogP4.65
Rot. Bonds2

About N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide

N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 20897489) has the molecular formula C16H10ClN3O2S and a molecular weight of 343.80 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID20897489
Molecular FormulaC16H10ClN3O2S
Molecular Weight343.80 g/mol
Exact Mass343.02
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nsnc3c2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H10ClN3O2S/c1-8-11-6-9(17)2-5-14(11)22-15(8)16(21)18-10-3-4-12-13(7-10)20-23-19-12/h2-7H,1H3,(H,18,21)
InChIKeyIWQVEZHNHMHXAQ-UHFFFAOYSA-N
XLogP4.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 20897489) is N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc3nsnc3c2)oc2ccc(Cl)cc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IWQVEZHNHMHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O2S/c1-8-11-6-9(17)2-5-14(11)22-15(8)16(21)18-10-3-4-12-13(7-10)20-23-19-12/h2-7H,1H3,(H,18,21).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 343.80 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20897489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).