5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide

C9H12F2N2O4S — CID 65310162

IUPAC5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)NC(CO)CO)c1
InChIInChI=1S/C9H12F2N2O4S/c10-7-1-5(12)2-8(9(7)11)18(16,17)13-6(3-14)4-15/h1-2,6,13-15H,3-4,12H2
InChIKeyYAVAMWSXTMPGIF-UHFFFAOYSA-N
MW282.27 g/mol
LogP-0.82
Rot. Bonds5

About 5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide

5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide (PubChem CID 65310162) has the molecular formula C9H12F2N2O4S and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide
PubChem CID65310162
Molecular FormulaC9H12F2N2O4S
Molecular Weight282.27 g/mol
Exact Mass282.05
IUPAC Name5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)NC(CO)CO)c1
InChIInChI=1S/C9H12F2N2O4S/c10-7-1-5(12)2-8(9(7)11)18(16,17)13-6(3-14)4-15/h1-2,6,13-15H,3-4,12H2
InChIKeyYAVAMWSXTMPGIF-UHFFFAOYSA-N
XLogP-0.82
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide
CID 65021029
5-amino-N-(2,3-dihydroxypropyl)-2,3-difluorobenzenesulfonamide
CID 66176945
5-amino-2,3-difluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 65022203
5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 65023136
2-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 106491866
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 79896720
3,4-difluoro-5-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]benzoic acid
CID 107216179
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 93081202
5-amino-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 80646566
5-amino-2,3-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113511
5-amino-2,3-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119438

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide (CID 65310162) is 5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide is Nc1cc(F)c(F)c(S(=O)(=O)NC(CO)CO)c1.
What is the InChIKey of 5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide?
The InChIKey is YAVAMWSXTMPGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O4S/c10-7-1-5(12)2-8(9(7)11)18(16,17)13-6(3-14)4-15/h1-2,6,13-15H,3-4,12H2.
What are the key properties of 5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide?
5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide has a molecular weight of 282.27 g/mol, XLogP of -0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 65310162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).