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

C11H6ClN3O2S — CID 2034766

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1ccco1
InChIInChI=1S/C11H6ClN3O2S/c12-6-3-4-7-10(15-18-14-7)9(6)13-11(16)8-2-1-5-17-8/h1-5H,(H,13,16)
InChIKeyRBGLGXSJYLRXPN-UHFFFAOYSA-N
MW279.71 g/mol
LogP3.19
Rot. Bonds2

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

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide (PubChem CID 2034766) has the molecular formula C11H6ClN3O2S and a molecular weight of 279.71 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
PubChem CID2034766
Molecular FormulaC11H6ClN3O2S
Molecular Weight279.71 g/mol
Exact Mass278.99
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1ccco1
InChIInChI=1S/C11H6ClN3O2S/c12-6-3-4-7-10(15-18-14-7)9(6)13-11(16)8-2-1-5-17-8/h1-5H,(H,13,16)
InChIKeyRBGLGXSJYLRXPN-UHFFFAOYSA-N
XLogP3.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-nitrofuran-2-carboxamide
CID 1952616
N-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide
CID 1839395
N-[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]furan-2-carboxamide
CID 661545
N-(6-chloro-2-phenyl-2H-benzotriazol-5-yl)furan-2-carboxamide
CID 851527
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide
CID 6458412
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
CID 2995137
Cambridge id 6172553
CID 875336
N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 711731
Cambridge id 6226855
CID 711913
N~2~-[2-(4-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 24152005
N-(2,1,3-benzoxadiazol-4-yl)furan-2-carboxamide
CID 1512168
(5-Chlorobenzotriazol-1-yl)-(furan-2-yl)methanone
CID 3127208

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide (CID 2034766) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide is O=C(Nc1c(Cl)ccc2nsnc12)c1ccco1.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The InChIKey is RBGLGXSJYLRXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2S/c12-6-3-4-7-10(15-18-14-7)9(6)13-11(16)8-2-1-5-17-8/h1-5H,(H,13,16).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide has a molecular weight of 279.71 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 2034766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).