N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide

C12H8BrFN2O4S — CID 26951674

IUPACN-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C12H8BrFN2O4S/c13-9-3-1-2-4-10(9)15-21(19,20)12-6-5-8(14)7-11(12)16(17)18/h1-7,15H
InChIKeyGQTCUPMYBGDFNH-UHFFFAOYSA-N
MW375.18 g/mol
LogP3.30
Rot. Bonds4

About N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide

N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide (PubChem CID 26951674) has the molecular formula C12H8BrFN2O4S and a molecular weight of 375.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide
PubChem CID26951674
Molecular FormulaC12H8BrFN2O4S
Molecular Weight375.18 g/mol
Exact Mass373.94
IUPAC NameN-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C12H8BrFN2O4S/c13-9-3-1-2-4-10(9)15-21(19,20)12-6-5-8(14)7-11(12)16(17)18/h1-7,15H
InChIKeyGQTCUPMYBGDFNH-UHFFFAOYSA-N
XLogP3.30
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 17405978
N-(4-fluoro-2-iodophenyl)-2-nitrobenzenesulfonamide
CID 79758552
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
4-methyl-N-[2-[(4-methyl-2-nitrophenyl)sulfonylamino]phenyl]-2-nitrobenzenesulfonamide
CID 100971716
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644
4-amino-N-(2-bromophenyl)-3-nitrobenzenesulfonamide
CID 43348562
N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 104821779
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
N-(2-aminocyclopropyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 43596896
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224
3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide
CID 115993305
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide (CID 26951674) is N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide?
The InChIKey is GQTCUPMYBGDFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O4S/c13-9-3-1-2-4-10(9)15-21(19,20)12-6-5-8(14)7-11(12)16(17)18/h1-7,15H.
What are the key properties of N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide?
N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide has a molecular weight of 375.18 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide is sourced from PubChem (CID 26951674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).