4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol

C6H13F3N2O3S — CID 114809542

IUPAC4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol
SMILESCC(O)CCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-5(12)2-3-10-15(13,14)11-4-6(7,8)9/h5,10-12H,2-4H2,1H3
InChIKeyDXHDNDUPOFAHJF-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.26
Rot. Bonds6

About 4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol

4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol (PubChem CID 114809542) has the molecular formula C6H13F3N2O3S and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol
PubChem CID114809542
Molecular FormulaC6H13F3N2O3S
Molecular Weight250.24 g/mol
Exact Mass250.06
IUPAC Name4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol
SMILESCC(O)CCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O3S/c1-5(12)2-3-10-15(13,14)11-4-6(7,8)9/h5,10-12H,2-4H2,1H3
InChIKeyDXHDNDUPOFAHJF-UHFFFAOYSA-N
XLogP-0.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-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 4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol (CID 114809542) is 4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol is CC(O)CCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol?
The InChIKey is DXHDNDUPOFAHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O3S/c1-5(12)2-3-10-15(13,14)11-4-6(7,8)9/h5,10-12H,2-4H2,1H3.
What are the key properties of 4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol?
4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol has a molecular weight of 250.24 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfamoylamino)butan-2-ol is sourced from PubChem (CID 114809542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).