N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide

C12H9BrF2N2O2S — CID 82862185

IUPACN-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Br
InChIInChI=1S/C12H9BrF2N2O2S/c13-9-6-8(2-4-11(9)16)17-20(18,19)12-5-7(14)1-3-10(12)15/h1-6,17H,16H2
InChIKeyVVCDPTGMQMOOPG-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.11
Rot. Bonds3

About N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide

N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide (PubChem CID 82862185) has the molecular formula C12H9BrF2N2O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
PubChem CID82862185
Molecular FormulaC12H9BrF2N2O2S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC NameN-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Br
InChIInChI=1S/C12H9BrF2N2O2S/c13-9-6-8(2-4-11(9)16)17-20(18,19)12-5-7(14)1-3-10(12)15/h1-6,17H,16H2
InChIKeyVVCDPTGMQMOOPG-UHFFFAOYSA-N
XLogP3.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
4-amino-3-bromo-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775504
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775446
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438
2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 54888611
5-amino-N-(3-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104775506
5-amino-4-bromo-N-(4-ethylphenyl)-2-fluorobenzenesulfonamide
CID 116529396
2-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-5-fluorobenzenesulfonamide
CID 106067079
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 43550987
2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64792667

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide (CID 82862185) is N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is VVCDPTGMQMOOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2S/c13-9-6-8(2-4-11(9)16)17-20(18,19)12-5-7(14)1-3-10(12)15/h1-6,17H,16H2.
What are the key properties of N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide?
N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide has a molecular weight of 363.18 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 82862185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).