5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide

C10H5BrClFN2O4S2 — CID 80578856

IUPAC5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c(F)c1
InChIInChI=1S/C10H5BrClFN2O4S2/c11-10-6(12)4-9(20-10)21(18,19)14-8-2-1-5(15(16)17)3-7(8)13/h1-4,14H
InChIKeyDJIDYDACYHDXGJ-UHFFFAOYSA-N
MW415.65 g/mol
LogP4.01
Rot. Bonds4

About 5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide (PubChem CID 80578856) has the molecular formula C10H5BrClFN2O4S2 and a molecular weight of 415.65 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide
PubChem CID80578856
Molecular FormulaC10H5BrClFN2O4S2
Molecular Weight415.65 g/mol
Exact Mass413.85
IUPAC Name5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c(F)c1
InChIInChI=1S/C10H5BrClFN2O4S2/c11-10-6(12)4-9(20-10)21(18,19)14-8-2-1-5(15(16)17)3-7(8)13/h1-4,14H
InChIKeyDJIDYDACYHDXGJ-UHFFFAOYSA-N
XLogP4.01
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.65
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
5-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)thiophene-2-sulfonamide
CID 80577587
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
CID 80578616
N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 60631764
2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide
CID 62153847
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide
CID 26969862
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
CID 80577224
N-(2-bromo-4-fluorophenyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80735629
5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide
CID 114296086
N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide
CID 5089317

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide (CID 80578856) is 5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c(F)c1.
What is the InChIKey of 5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide?
The InChIKey is DJIDYDACYHDXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClFN2O4S2/c11-10-6(12)4-9(20-10)21(18,19)14-8-2-1-5(15(16)17)3-7(8)13/h1-4,14H.
What are the key properties of 5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide has a molecular weight of 415.65 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80578856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).