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

C12H17F2NO3S — CID 106172244

IUPAC2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol
SMILESCCCS(=O)(=O)c1ccccc1NCC(F)(F)CO
InChIInChI=1S/C12H17F2NO3S/c1-2-7-19(17,18)11-6-4-3-5-10(11)15-8-12(13,14)9-16/h3-6,15-16H,2,7-9H2,1H3
InChIKeyDBIZJXAMTBZOTH-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.91
Rot. Bonds7

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

2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol (PubChem CID 106172244) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol
PubChem CID106172244
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol
SMILESCCCS(=O)(=O)c1ccccc1NCC(F)(F)CO
InChIInChI=1S/C12H17F2NO3S/c1-2-7-19(17,18)11-6-4-3-5-10(11)15-8-12(13,14)9-16/h3-6,15-16H,2,7-9H2,1H3
InChIKeyDBIZJXAMTBZOTH-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-propylsulfonylaniline
CID 43453634
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
2-(2-ethylsulfonylanilino)-2-methylpropan-1-ol
CID 43500186
2-propylsulfonyl-N-prop-2-ynylaniline
CID 62141091
3-methyl-4-(2-propylsulfonylanilino)butan-1-ol
CID 66107946
3-methyl-2-[(2-propylsulfonylanilino)methyl]butanoic acid
CID 65226606
3-[(2-propylsulfonylanilino)methyl]hexan-1-ol
CID 106115691
1-methyl-3-(2-propylsulfonylphenyl)urea
CID 117061578
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
4,4-dimethyl-1-N-(2-propylsulfonylphenyl)pentane-1,2-diamine
CID 107159216
N-[3-(chloromethyl)pentan-3-yl]-2-propylsulfonylaniline
CID 65027999
N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol (CID 106172244) is 2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol is CCCS(=O)(=O)c1ccccc1NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol?
The InChIKey is DBIZJXAMTBZOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-2-7-19(17,18)11-6-4-3-5-10(11)15-8-12(13,14)9-16/h3-6,15-16H,2,7-9H2,1H3.
What are the key properties of 2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol?
2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol has a molecular weight of 293.33 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol is sourced from PubChem (CID 106172244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).