N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide

C10H13F3N2O3S — CID 120713011

IUPACN-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC(F)(F)CN)ccc1F
InChIInChI=1S/C10H13F3N2O3S/c1-18-9-4-7(2-3-8(9)11)19(16,17)15-6-10(12,13)5-14/h2-4,15H,5-6,14H2,1H3
InChIKeyJQGZDXCDXFFRFA-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.71
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide

N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 120713011) has the molecular formula C10H13F3N2O3S and a molecular weight of 298.29 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID120713011
Molecular FormulaC10H13F3N2O3S
Molecular Weight298.29 g/mol
Exact Mass298.06
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC(F)(F)CN)ccc1F
InChIInChI=1S/C10H13F3N2O3S/c1-18-9-4-7(2-3-8(9)11)19(16,17)15-6-10(12,13)5-14/h2-4,15H,5-6,14H2,1H3
InChIKeyJQGZDXCDXFFRFA-UHFFFAOYSA-N
XLogP0.71
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-3,4-dimethoxybenzenesulfonamide
CID 114384146
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120706784
N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
CID 114383921
N-(3-amino-2,2-difluoropropyl)-2,4-dimethoxybenzenesulfonamide
CID 114383976
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
CID 114383933
3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 104858845
[4-[[(4-fluoro-3-methoxyphenyl)sulfonylamino]methyl]phenyl]boronic acid
CID 144923740
3-N-(3-amino-2,2-difluoropropyl)benzene-1,3-disulfonamide
CID 114384038
N-(3-amino-2,2-difluoropropyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 114383991
4-[(4-fluoro-3-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068854
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide (CID 120713011) is N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCC(F)(F)CN)ccc1F.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is JQGZDXCDXFFRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3S/c1-18-9-4-7(2-3-8(9)11)19(16,17)15-6-10(12,13)5-14/h2-4,15H,5-6,14H2,1H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide?
N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 298.29 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 120713011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).