N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide

C10H14F2N2O2S — CID 84591341

IUPACN-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C10H14F2N2O2S/c1-10(2,6-13)14-17(15,16)8-5-3-4-7(11)9(8)12/h3-5,14H,6,13H2,1-2H3
InChIKeyAWUJQNARRVDGNI-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.98
Rot. Bonds4

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

N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide (PubChem CID 84591341) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide
PubChem CID84591341
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide
SMILESCC(C)(CN)NS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C10H14F2N2O2S/c1-10(2,6-13)14-17(15,16)8-5-3-4-7(11)9(8)12/h3-5,14H,6,13H2,1-2H3
InChIKeyAWUJQNARRVDGNI-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide (CID 84591341) is N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide is CC(C)(CN)NS(=O)(=O)c1cccc(F)c1F.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide?
The InChIKey is AWUJQNARRVDGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-10(2,6-13)14-17(15,16)8-5-3-4-7(11)9(8)12/h3-5,14H,6,13H2,1-2H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 84591341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).