N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride

C9H10BrCl3F2N2O2S — CID 120713049

IUPACN-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(F)(F)CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl
InChIInChI=1S/C9H9BrCl2F2N2O2S.ClH/c10-5-1-8(7(12)2-6(5)11)19(17,18)16-4-9(13,14)3-15;/h1-2,16H,3-4,15H2;1H
InChIKeyPYJIUHXVFZHIFS-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.05
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride

N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride (PubChem CID 120713049) has the molecular formula C9H10BrCl3F2N2O2S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride
PubChem CID120713049
Molecular FormulaC9H10BrCl3F2N2O2S
Molecular Weight434.52 g/mol
Exact Mass431.87
IUPAC NameN-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(F)(F)CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl
InChIInChI=1S/C9H9BrCl2F2N2O2S.ClH/c10-5-1-8(7(12)2-6(5)11)19(17,18)16-4-9(13,14)3-15;/h1-2,16H,3-4,15H2;1H
InChIKeyPYJIUHXVFZHIFS-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride
CID 120712935
N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide
CID 114384009
N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide
CID 120712948
N-(3-amino-2,2-difluoropropyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 114384041
5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
3-N-(3-amino-2,2-difluoropropyl)benzene-1,3-disulfonamide
CID 114384038
4-amino-5-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 70635241
N-(3-amino-2,2-difluoropropyl)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
CID 120713028
N-(3-amino-2,2-difluoropropyl)-2,4-dimethoxybenzenesulfonamide
CID 114383976
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
N-(3-amino-2,2-difluoropropyl)-3-chloro-4-methyl-5-nitrobenzenesulfonamide
CID 114384018
N-(3-amino-2,2-difluoropropyl)-5-cyano-2-methylbenzenesulfonamide
CID 114383953

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride (CID 120713049) is N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride is Cl.NCC(F)(F)CNS(=O)(=O)c1cc(Br)c(Cl)cc1Cl.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride?
The InChIKey is PYJIUHXVFZHIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2F2N2O2S.ClH/c10-5-1-8(7(12)2-6(5)11)19(17,18)16-4-9(13,14)3-15;/h1-2,16H,3-4,15H2;1H.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride?
N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride has a molecular weight of 434.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120713049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).