N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide

C7H15F2NO3S — CID 103731724

IUPACN-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H15F2NO3S/c1-2-3-4-14(12,13)10-5-6(11)7(8)9/h6-7,10-11H,2-5H2,1H3
InChIKeyRVEZGUNPEUIMRB-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.33
Rot. Bonds7

About N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide

N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide (PubChem CID 103731724) has the molecular formula C7H15F2NO3S and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide
PubChem CID103731724
Molecular FormulaC7H15F2NO3S
Molecular Weight231.26 g/mol
Exact Mass231.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H15F2NO3S/c1-2-3-4-14(12,13)10-5-6(11)7(8)9/h6-7,10-11H,2-5H2,1H3
InChIKeyRVEZGUNPEUIMRB-UHFFFAOYSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide (CID 103731724) is N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide?
The InChIKey is RVEZGUNPEUIMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO3S/c1-2-3-4-14(12,13)10-5-6(11)7(8)9/h6-7,10-11H,2-5H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide has a molecular weight of 231.26 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)butane-1-sulfonamide is sourced from PubChem (CID 103731724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).