5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide

C11H16F2N2O4S — CID 65020928

IUPAC5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H16F2N2O4S/c1-15(5-8(16)6-19-2)20(17,18)10-4-7(14)3-9(12)11(10)13/h3-4,8,16H,5-6,14H2,1-2H3
InChIKeyFFWFGBZTPWCPCU-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.17
Rot. Bonds6

About 5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide

5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide (PubChem CID 65020928) has the molecular formula C11H16F2N2O4S and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
PubChem CID65020928
Molecular FormulaC11H16F2N2O4S
Molecular Weight310.32 g/mol
Exact Mass310.08
IUPAC Name5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C11H16F2N2O4S/c1-15(5-8(16)6-19-2)20(17,18)10-4-7(14)3-9(12)11(10)13/h3-4,8,16H,5-6,14H2,1-2H3
InChIKeyFFWFGBZTPWCPCU-UHFFFAOYSA-N
XLogP0.17
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N1,N1-Bis(2-hydroxyethyl)metanilamide
CID 4391
4-Amino-n,n-bis(2-hydroxypropyl)benzenesulfonamide
CID 225106
3-amino-5-fluoro-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzenesulfonamide
CID 168195380
3-amino-5-fluoro-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
CID 168195717
1-(3-Amino-4-fluorophenyl)sulfonylpiperidin-4-ol
CID 28524129
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2,4-difluoroaniline
CID 29052146
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluoroaniline
CID 29276629
5-amino-N-(3-ethoxypropyl)-2,4-difluorobenzenesulfonamide
CID 29548544
1-(5-Amino-2,4-difluorophenyl)sulfonylpiperidin-4-ol
CID 29779476
2,4-Difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43098378
5-(2,6-Dimethylmorpholin-4-yl)sulfonyl-2,4-difluoroaniline
CID 43100492
5-(2,6-Dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 43102430

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide (CID 65020928) is 5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide is COCC(O)CN(C)S(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is FFWFGBZTPWCPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O4S/c1-15(5-8(16)6-19-2)20(17,18)10-4-7(14)3-9(12)11(10)13/h3-4,8,16H,5-6,14H2,1-2H3.
What are the key properties of 5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 310.32 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 65020928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).