1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol

C10H13F2NO3S — CID 43500227

IUPAC1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol
SMILESCC(O)CNc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C10H13F2NO3S/c1-7(14)6-13-8-2-4-9(5-3-8)17(15,16)10(11)12/h2-5,7,10,13-14H,6H2,1H3
InChIKeyRWLBLFNXHJSMCD-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.48
Rot. Bonds5

About 1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol

1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol (PubChem CID 43500227) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol
PubChem CID43500227
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Name1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol
SMILESCC(O)CNc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C10H13F2NO3S/c1-7(14)6-13-8-2-4-9(5-3-8)17(15,16)10(11)12/h2-5,7,10,13-14H,6H2,1H3
InChIKeyRWLBLFNXHJSMCD-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-p-Sulfanilylanilinoethanol
CID 6622
(3S,4R)-3-hydroxy-4-(phenylamino)thiolane-1,1-dione
CID 2772257
4-Anilinotetrahydro-3-thiophenol 1,1-dioxide
CID 2818401
4-methanesulfonyl-N-(propan-2-yl)aniline
CID 28453403
N-ethyl-2-fluoro-4-methanesulfonylaniline
CID 91476749
N-(4-difluoromethanesulfonylphenyl)acetamide
CID 2412593
2-Propanol, 1-(p-sulfanilylanilino)-
CID 3063463
N-methyl-4-trifluoromethanesulfonylaniline
CID 43427590
4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 47046016
1-[4-(Difluoromethylsulfonyl)anilino]-2-methylbutan-2-ol
CID 63963191
3-[4-(4-Aminophenyl)sulfonylanilino]propan-1-ol
CID 156016744
2-[4-(Ethylamino)benzene-1-sulfonyl]ethan-1-ol
CID 46856333

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol (CID 43500227) is 1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol is CC(O)CNc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol?
The InChIKey is RWLBLFNXHJSMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-7(14)6-13-8-2-4-9(5-3-8)17(15,16)10(11)12/h2-5,7,10,13-14H,6H2,1H3.
What are the key properties of 1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol?
1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol has a molecular weight of 265.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)anilino]propan-2-ol is sourced from PubChem (CID 43500227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).