N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide

C11H5Cl2FINO3S2 — CID 112839247

IUPACN-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1I
InChIInChI=1S/C11H5Cl2FINO3S2/c12-9-4-8(10(13)20-9)21(18,19)16-11(17)6-2-1-5(14)3-7(6)15/h1-4H,(H,16,17)
InChIKeyZJBFXPPCWWULPF-UHFFFAOYSA-N
MW480.11 g/mol
LogP3.92
Rot. Bonds3

About N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide

N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide (PubChem CID 112839247) has the molecular formula C11H5Cl2FINO3S2 and a molecular weight of 480.11 g/mol. Its IUPAC name is N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide.

Molecular Properties

Compound NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide
PubChem CID112839247
Molecular FormulaC11H5Cl2FINO3S2
Molecular Weight480.11 g/mol
Exact Mass478.81
IUPAC NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1I
InChIInChI=1S/C11H5Cl2FINO3S2/c12-9-4-8(10(13)20-9)21(18,19)16-11(17)6-2-1-5(14)3-7(6)15/h1-4H,(H,16,17)
InChIKeyZJBFXPPCWWULPF-UHFFFAOYSA-N
XLogP3.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.11
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 112839264
N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
CID 106547719
2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide
CID 3768405
N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide
CID 29099080
2,5-dichloro-N-(2,5-difluorophenyl)thiophene-3-carboxamide
CID 51191647
4-fluoro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626497
methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate
CID 31808270
4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 63405367
2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide
CID 112839269
N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113255459
N-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 112839230
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide?
The IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide (CID 112839247) is N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide.
What is the SMILES notation for N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide?
The canonical SMILES for N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide is O=C(NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1I.
What is the InChIKey of N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide?
The InChIKey is ZJBFXPPCWWULPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FINO3S2/c12-9-4-8(10(13)20-9)21(18,19)16-11(17)6-2-1-5(14)3-7(6)15/h1-4H,(H,16,17).
What are the key properties of N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide?
N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide has a molecular weight of 480.11 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide is sourced from PubChem (CID 112839247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).