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

C10H6Br2N2O4S2 — CID 61392311

IUPAC5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H6Br2N2O4S2/c11-6-1-2-7(8(5-6)14(15)16)13-20(17,18)10-4-3-9(12)19-10/h1-5,13H
InChIKeyYOPZSNZYIJSHIH-UHFFFAOYSA-N
MW442.11 g/mol
LogP3.98
Rot. Bonds4

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

5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide (PubChem CID 61392311) has the molecular formula C10H6Br2N2O4S2 and a molecular weight of 442.11 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide
PubChem CID61392311
Molecular FormulaC10H6Br2N2O4S2
Molecular Weight442.11 g/mol
Exact Mass439.81
IUPAC Name5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H6Br2N2O4S2/c11-6-1-2-7(8(5-6)14(15)16)13-20(17,18)10-4-3-9(12)19-10/h1-5,13H
InChIKeyYOPZSNZYIJSHIH-UHFFFAOYSA-N
XLogP3.98
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.11
LogP ≤ 53.98
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-methyl-2-nitrophenyl)thiophene-2-sulfonamide
CID 60640598
5-bromo-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 22773592
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-nitroaniline
CID 43426520
5-chloro-N-(2,5-dibromophenyl)-4-nitrothiophene-2-sulfonamide
CID 80735740
5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 2198378
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 60550023
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8523278
N-(4-bromo-2-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61274832
3-[(4-bromo-2-nitrophenyl)sulfamoyl]propanoic acid
CID 43715325

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide (CID 61392311) is 5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide is O=[N+]([O-])c1cc(Br)ccc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide?
The InChIKey is YOPZSNZYIJSHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2O4S2/c11-6-1-2-7(8(5-6)14(15)16)13-20(17,18)10-4-3-9(12)19-10/h1-5,13H.
What are the key properties of 5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide?
5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide has a molecular weight of 442.11 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61392311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).