N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide

C10H10BrF5N2O2S — CID 120712948

IUPACN-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF5N2O2S/c11-7-2-1-6(10(14,15)16)3-8(7)21(19,20)18-5-9(12,13)4-17/h1-3,18H,4-5,17H2
InChIKeyLZCBPPLCKCFEDY-UHFFFAOYSA-N
MW397.16 g/mol
LogP2.34
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide

N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 120712948) has the molecular formula C10H10BrF5N2O2S and a molecular weight of 397.16 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide
PubChem CID120712948
Molecular FormulaC10H10BrF5N2O2S
Molecular Weight397.16 g/mol
Exact Mass395.96
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF5N2O2S/c11-7-2-1-6(10(14,15)16)3-8(7)21(19,20)18-5-9(12,13)4-17/h1-3,18H,4-5,17H2
InChIKeyLZCBPPLCKCFEDY-UHFFFAOYSA-N
XLogP2.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.16
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708659
N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride
CID 120712935
N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120713049
2-bromo-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708929
N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide
CID 114384009
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
3-N-(3-amino-2,2-difluoropropyl)benzene-1,3-disulfonamide
CID 114384038
N-(3-amino-2,2-difluoropropyl)-2,4-dimethoxybenzenesulfonamide
CID 114383976
N-(3-aminopropyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 91659841
N-(3-amino-2,2-difluoropropyl)-5-cyano-2-methylbenzenesulfonamide
CID 114383953
N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
CID 114383921
5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 106165837

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide (CID 120712948) is N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide is NCC(F)(F)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LZCBPPLCKCFEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF5N2O2S/c11-7-2-1-6(10(14,15)16)3-8(7)21(19,20)18-5-9(12,13)4-17/h1-3,18H,4-5,17H2.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide?
N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 397.16 g/mol, XLogP of 2.34, 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-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120712948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).