N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide

C7H13F3N2O3S — CID 103834022

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)N1CCCC1
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)6(13)5-11-16(14,15)12-3-1-2-4-12/h6,11,13H,1-5H2
InChIKeyQSVSSXIOZJBLAZ-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.16
Rot. Bonds4

About N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide

N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide (PubChem CID 103834022) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide
PubChem CID103834022
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)N1CCCC1
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)6(13)5-11-16(14,15)12-3-1-2-4-12/h6,11,13H,1-5H2
InChIKeyQSVSSXIOZJBLAZ-UHFFFAOYSA-N
XLogP-0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide (CID 103834022) is N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide is O=S(=O)(NCC(O)C(F)(F)F)N1CCCC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide?
The InChIKey is QSVSSXIOZJBLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c8-7(9,10)6(13)5-11-16(14,15)12-3-1-2-4-12/h6,11,13H,1-5H2.
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide has a molecular weight of 262.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 103834022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).