4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide

C10H4BrCl2FINO2S2 — CID 3804697

IUPAC4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1c(Cl)sc(Cl)c1Br
InChIInChI=1S/C10H4BrCl2FINO2S2/c11-7-8(10(13)19-9(7)12)20(17,18)16-6-2-1-4(15)3-5(6)14/h1-3,16H
InChIKeyYKXBFWCXDRWMPA-UHFFFAOYSA-N
MW530.99 g/mol
LogP5.36
Rot. Bonds3

About 4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide

4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide (PubChem CID 3804697) has the molecular formula C10H4BrCl2FINO2S2 and a molecular weight of 530.99 g/mol. Its IUPAC name is 4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide
PubChem CID3804697
Molecular FormulaC10H4BrCl2FINO2S2
Molecular Weight530.99 g/mol
Exact Mass528.73
IUPAC Name4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1c(Cl)sc(Cl)c1Br
InChIInChI=1S/C10H4BrCl2FINO2S2/c11-7-8(10(13)19-9(7)12)20(17,18)16-6-2-1-4(15)3-5(6)14/h1-3,16H
InChIKeyYKXBFWCXDRWMPA-UHFFFAOYSA-N
XLogP5.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.99
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
4-bromo-N-(3-bromophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 5092209
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
4-bromo-2,5-dichloro-N-[5-(hydroxymethyl)-2-methylphenyl]thiophene-3-sulfonamide
CID 3377394
N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5000852
sodium N-(2-fluoro-4-iodophenyl)sulfamate
CID 23674125
4-bromo-2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-sulfonamide
CID 3777525
4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60640804
6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide
CID 142393306
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
4-bromo-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]thiophene-3-sulfonamide
CID 53492429

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide?
The IUPAC name of 4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide (CID 3804697) is 4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(I)cc1F)c1c(Cl)sc(Cl)c1Br.
What is the InChIKey of 4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide?
The InChIKey is YKXBFWCXDRWMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2FINO2S2/c11-7-8(10(13)19-9(7)12)20(17,18)16-6-2-1-4(15)3-5(6)14/h1-3,16H.
What are the key properties of 4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide?
4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide has a molecular weight of 530.99 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dichloro-N-(2-fluoro-4-iodophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 3804697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).