1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide

C5H11F2NO3S — CID 64911431

IUPAC1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide
SMILESCC(O)CCNS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO3S/c1-4(9)2-3-8-12(10,11)5(6)7/h4-5,8-9H,2-3H2,1H3
InChIKeyNTWOOSJBJRERDP-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.10
Rot. Bonds5

About 1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide

1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide (PubChem CID 64911431) has the molecular formula C5H11F2NO3S and a molecular weight of 203.21 g/mol. Its IUPAC name is 1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide
PubChem CID64911431
Molecular FormulaC5H11F2NO3S
Molecular Weight203.21 g/mol
Exact Mass203.04
IUPAC Name1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide
SMILESCC(O)CCNS(=O)(=O)C(F)F
InChIInChI=1S/C5H11F2NO3S/c1-4(9)2-3-8-12(10,11)5(6)7/h4-5,8-9H,2-3H2,1H3
InChIKeyNTWOOSJBJRERDP-UHFFFAOYSA-N
XLogP-0.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide 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 1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide (CID 64911431) is 1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide is CC(O)CCNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide?
The InChIKey is NTWOOSJBJRERDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO3S/c1-4(9)2-3-8-12(10,11)5(6)7/h4-5,8-9H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide?
1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide has a molecular weight of 203.21 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(3-hydroxybutyl)methanesulfonamide is sourced from PubChem (CID 64911431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).