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

C11H9BrN2O4S2 — CID 60640598

IUPAC5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9BrN2O4S2/c1-7-2-3-8(9(6-7)14(15)16)13-20(17,18)11-5-4-10(12)19-11/h2-6,13H,1H3
InChIKeyPNIYJXPTJFGPMD-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.53
Rot. Bonds4

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

5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide (PubChem CID 60640598) has the molecular formula C11H9BrN2O4S2 and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide
PubChem CID60640598
Molecular FormulaC11H9BrN2O4S2
Molecular Weight377.24 g/mol
Exact Mass375.92
IUPAC Name5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9BrN2O4S2/c1-7-2-3-8(9(6-7)14(15)16)13-20(17,18)11-5-4-10(12)19-11/h2-6,13H,1H3
InChIKeyPNIYJXPTJFGPMD-UHFFFAOYSA-N
XLogP3.53
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.53
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-nitrophenyl)thiophene-2-sulfonamide
CID 61392311
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8523278
(4-methyl-2-nitrophenyl) 5-bromothiophene-2-sulfonate
CID 26528488
5-bromo-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 22773592
4-methyl-N-[2-[(4-methyl-2-nitrophenyl)sulfonylamino]phenyl]-2-nitrobenzenesulfonamide
CID 100971716
5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 2198378
4-bromo-N-(5-methyl-2-nitrophenyl)benzenesulfonamide
CID 115912716
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 60550023
5-bromo-N-(2-hydroxy-5-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 81421805
5-bromo-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 61016849
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide (CID 60640598) is 5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)s2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide?
The InChIKey is PNIYJXPTJFGPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O4S2/c1-7-2-3-8(9(6-7)14(15)16)13-20(17,18)11-5-4-10(12)19-11/h2-6,13H,1H3.
What are the key properties of 5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide?
5-bromo-N-(4-methyl-2-nitrophenyl)thiophene-2-sulfonamide has a molecular weight of 377.24 g/mol, XLogP of 3.53, 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-methyl-2-nitrophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 60640598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).