N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide

C11H16F2N2O4S — CID 114384146

IUPACN-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(F)(F)CN)cc1OC
InChIInChI=1S/C11H16F2N2O4S/c1-18-9-4-3-8(5-10(9)19-2)20(16,17)15-7-11(12,13)6-14/h3-5,15H,6-7,14H2,1-2H3
InChIKeyMWZFGBHJSCBTJZ-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.58
Rot. Bonds7

About N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide

N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 114384146) has the molecular formula C11H16F2N2O4S and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID114384146
Molecular FormulaC11H16F2N2O4S
Molecular Weight310.32 g/mol
Exact Mass310.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(F)(F)CN)cc1OC
InChIInChI=1S/C11H16F2N2O4S/c1-18-9-4-3-8(5-10(9)19-2)20(16,17)15-7-11(12,13)6-14/h3-5,15H,6-7,14H2,1-2H3
InChIKeyMWZFGBHJSCBTJZ-UHFFFAOYSA-N
XLogP0.58
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120713011
N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
CID 114383921
N-(3-amino-2,2-difluoropropyl)-2,4-dimethoxybenzenesulfonamide
CID 114383976
3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 104858845
N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
CID 114383933
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
3-N-(3-amino-2,2-difluoropropyl)benzene-1,3-disulfonamide
CID 114384038
N-[3-(aminomethyl)pentan-3-yl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119981154
N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 114383991
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
4-[(3-amino-2,2-difluoropropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 114383910
N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712963

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide (CID 114384146) is N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(F)(F)CN)cc1OC.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is MWZFGBHJSCBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O4S/c1-18-9-4-3-8(5-10(9)19-2)20(16,17)15-7-11(12,13)6-14/h3-5,15H,6-7,14H2,1-2H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide?
N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 310.32 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 114384146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).