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

C9H11BrCl2F2N2O2S — CID 120712935

IUPACN-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(F)(F)CNS(=O)(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C9H10BrClF2N2O2S.ClH/c10-7-3-6(11)1-2-8(7)18(16,17)15-5-9(12,13)4-14;/h1-3,15H,4-5,14H2;1H
InChIKeyVEKVDZAAUOTKNZ-UHFFFAOYSA-N
MW400.07 g/mol
LogP2.40
Rot. Bonds5

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

N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride (PubChem CID 120712935) has the molecular formula C9H11BrCl2F2N2O2S and a molecular weight of 400.07 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride
PubChem CID120712935
Molecular FormulaC9H11BrCl2F2N2O2S
Molecular Weight400.07 g/mol
Exact Mass397.91
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride
SMILESCl.NCC(F)(F)CNS(=O)(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C9H10BrClF2N2O2S.ClH/c10-7-3-6(11)1-2-8(7)18(16,17)15-5-9(12,13)4-14;/h1-3,15H,4-5,14H2;1H
InChIKeyVEKVDZAAUOTKNZ-UHFFFAOYSA-N
XLogP2.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120713049
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)-5-chloro-2-(cyclobutylmethoxy)benzenesulfonamide;hydrochloride
CID 120713028
2-bromo-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60824533
2-bromo-4-chlorobenzenesulfonamide
CID 79018093
N-(3-amino-2,2-difluoropropyl)-2,4-dimethoxybenzenesulfonamide
CID 114383976
N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide
CID 120706161
3-N-(3-amino-2,2-difluoropropyl)benzene-1,3-disulfonamide
CID 114384038
2-bromo-4-chloro-1-methylsulfonylbenzene
CID 75487839
5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 106165837
N-(3-amino-2,2-dimethylpropyl)-2-bromo-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 120712190

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride (CID 120712935) is N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride is Cl.NCC(F)(F)CNS(=O)(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride?
The InChIKey is VEKVDZAAUOTKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClF2N2O2S.ClH/c10-7-3-6(11)1-2-8(7)18(16,17)15-5-9(12,13)4-14;/h1-3,15H,4-5,14H2;1H.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride?
N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride has a molecular weight of 400.07 g/mol, XLogP of 2.40, 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)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120712935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).