N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide

C7H15F2NO3S — CID 61448022

IUPACN-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO3S/c1-2-3-4-10(5-6-11)14(12,13)7(8)9/h7,11H,2-6H2,1H3
InChIKeyFDVGKSCFSQUILH-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.63
Rot. Bonds7

About N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide

N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 61448022) has the molecular formula C7H15F2NO3S and a molecular weight of 231.26 g/mol. Its IUPAC name is N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID61448022
Molecular FormulaC7H15F2NO3S
Molecular Weight231.26 g/mol
Exact Mass231.07
IUPAC NameN-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO3S/c1-2-3-4-10(5-6-11)14(12,13)7(8)9/h7,11H,2-6H2,1H3
InChIKeyFDVGKSCFSQUILH-UHFFFAOYSA-N
XLogP0.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-1,1-difluoro-N-(2-hydroxyethyl)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 N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide (CID 61448022) is N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide is CCCCN(CCO)S(=O)(=O)C(F)F.
What is the InChIKey of N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is FDVGKSCFSQUILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO3S/c1-2-3-4-10(5-6-11)14(12,13)7(8)9/h7,11H,2-6H2,1H3.
What are the key properties of N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide?
N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 231.26 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 61448022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).