2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol

C7H16F2N2O3S — CID 106170328

IUPAC2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol
SMILESCC(C)CNS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C7H16F2N2O3S/c1-6(2)3-10-15(13,14)11-4-7(8,9)5-12/h6,10-12H,3-5H2,1-2H3
InChIKeyBXQICKDPTTVAIC-UHFFFAOYSA-N
MW246.28 g/mol
LogP-0.31
Rot. Bonds7

About 2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol

2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol (PubChem CID 106170328) has the molecular formula C7H16F2N2O3S and a molecular weight of 246.28 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol
PubChem CID106170328
Molecular FormulaC7H16F2N2O3S
Molecular Weight246.28 g/mol
Exact Mass246.08
IUPAC Name2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol
SMILESCC(C)CNS(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C7H16F2N2O3S/c1-6(2)3-10-15(13,14)11-4-7(8,9)5-12/h6,10-12H,3-5H2,1-2H3
InChIKeyBXQICKDPTTVAIC-UHFFFAOYSA-N
XLogP-0.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol (CID 106170328) is 2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol is CC(C)CNS(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol?
The InChIKey is BXQICKDPTTVAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O3S/c1-6(2)3-10-15(13,14)11-4-7(8,9)5-12/h6,10-12H,3-5H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol?
2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol has a molecular weight of 246.28 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-methylpropylsulfamoylamino)propan-1-ol is sourced from PubChem (CID 106170328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).