N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide

C9H10ClF3N2O2S — CID 114384009

IUPACN-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H10ClF3N2O2S/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
InChIKeyWFRVRXHRMYPMIH-UHFFFAOYSA-N
MW302.71 g/mol
LogP1.35
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide

N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide (PubChem CID 114384009) has the molecular formula C9H10ClF3N2O2S and a molecular weight of 302.71 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide
PubChem CID114384009
Molecular FormulaC9H10ClF3N2O2S
Molecular Weight302.71 g/mol
Exact Mass302.01
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H10ClF3N2O2S/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
InChIKeyWFRVRXHRMYPMIH-UHFFFAOYSA-N
XLogP1.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
N-(3-amino-2,2-difluoropropyl)-5-bromo-2,4-dichlorobenzenesulfonamide;hydrochloride
CID 120713049
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
N-(3-amino-2,2-difluoropropyl)-2-bromo-4-chlorobenzenesulfonamide;hydrochloride
CID 120712935
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 103838118
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
N-(3-amino-2,2-difluoropropyl)-6-chloro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 114384041
2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide
CID 49459653
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
N-(3-amino-2,2-difluoropropyl)-2,4-dimethoxybenzenesulfonamide
CID 114383976
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
N-(3-amino-2,2-difluoropropyl)-2-bromo-5-(trifluoromethyl)benzenesulfonamide
CID 120712948

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide (CID 114384009) is N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide is NCC(F)(F)CNS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide?
The InChIKey is WFRVRXHRMYPMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S/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.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide?
N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide has a molecular weight of 302.71 g/mol, XLogP of 1.35, 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-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 114384009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).