N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide

C12H9BrClFN2O2S — CID 105399526

IUPACN-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)c(Br)c1
InChIInChI=1S/C12H9BrClFN2O2S/c13-9-6-8(16)2-4-11(9)17-20(18,19)12-5-7(15)1-3-10(12)14/h1-6,17H,16H2
InChIKeyYWRNSFCBQMZCME-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.62
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide

N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 105399526) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID105399526
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC NameN-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)c(Br)c1
InChIInChI=1S/C12H9BrClFN2O2S/c13-9-6-8(16)2-4-11(9)17-20(18,19)12-5-7(15)1-3-10(12)14/h1-6,17H,16H2
InChIKeyYWRNSFCBQMZCME-UHFFFAOYSA-N
XLogP3.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.62
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-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399440
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399568
2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
2-amino-N-(2-bromo-4-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986083
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide (CID 105399526) is N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)c(Br)c1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is YWRNSFCBQMZCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c13-9-6-8(16)2-4-11(9)17-20(18,19)12-5-7(15)1-3-10(12)14/h1-6,17H,16H2.
What are the key properties of N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 379.64 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 105399526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).