N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide

C10H7BrN2O5S — CID 167743979

IUPACN-(2-bromo-3-nitrophenyl)furan-3-sulfonamide
SMILESO=[N+]([O-])c1cccc(NS(=O)(=O)c2ccoc2)c1Br
InChIInChI=1S/C10H7BrN2O5S/c11-10-8(2-1-3-9(10)13(14)15)12-19(16,17)7-4-5-18-6-7/h1-6,12H
InChIKeyGYGSREIZKYKKLJ-UHFFFAOYSA-N
MW347.15 g/mol
LogP2.75
Rot. Bonds4

About N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide

N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide (PubChem CID 167743979) has the molecular formula C10H7BrN2O5S and a molecular weight of 347.15 g/mol. Its IUPAC name is N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-nitrophenyl)furan-3-sulfonamide
PubChem CID167743979
Molecular FormulaC10H7BrN2O5S
Molecular Weight347.15 g/mol
Exact Mass345.93
IUPAC NameN-(2-bromo-3-nitrophenyl)furan-3-sulfonamide
SMILESO=[N+]([O-])c1cccc(NS(=O)(=O)c2ccoc2)c1Br
InChIInChI=1S/C10H7BrN2O5S/c11-10-8(2-1-3-9(10)13(14)15)12-19(16,17)7-4-5-18-6-7/h1-6,12H
InChIKeyGYGSREIZKYKKLJ-UHFFFAOYSA-N
XLogP2.75
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.15
LogP ≤ 52.75
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

4-(bromomethyl)-N-(2-nitrophenyl)benzenesulfonamide
CID 65481606
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
N-(2-methyl-3-nitrophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629391
N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
CID 142740286
4-amino-N-(2-bromophenyl)-3-nitrobenzenesulfonamide
CID 43348562
3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 107810881
2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
CID 61051817
N-(2-chloro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 87933653
N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 2945239
5-[(2-nitrophenyl)sulfamoyl]furan-2-carboxylic acid
CID 43712643

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide?
The IUPAC name of N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide (CID 167743979) is N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide?
The canonical SMILES for N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide is O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccoc2)c1Br.
What is the InChIKey of N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide?
The InChIKey is GYGSREIZKYKKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O5S/c11-10-8(2-1-3-9(10)13(14)15)12-19(16,17)7-4-5-18-6-7/h1-6,12H.
What are the key properties of N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide?
N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide has a molecular weight of 347.15 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-nitrophenyl)furan-3-sulfonamide is sourced from PubChem (CID 167743979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).