N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide

C9H16F3NO3S — CID 124882694

IUPACN-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@]1(C(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO3S/c1-2-3-6-17(14,15)13-8(9(10,11)12)4-5-16-7-8/h13H,2-7H2,1H3/t8-/m1/s1
InChIKeySRXZLTXUXJRBMQ-MRVPVSSYSA-N
MW275.29 g/mol
LogP1.43
Rot. Bonds5

About N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide

N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide (PubChem CID 124882694) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide
PubChem CID124882694
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC NameN-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@]1(C(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO3S/c1-2-3-6-17(14,15)13-8(9(10,11)12)4-5-16-7-8/h13H,2-7H2,1H3/t8-/m1/s1
InChIKeySRXZLTXUXJRBMQ-MRVPVSSYSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide?
The IUPAC name of N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide (CID 124882694) is N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide?
The canonical SMILES for N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@]1(C(F)(F)F)CCOC1.
What is the InChIKey of N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide?
The InChIKey is SRXZLTXUXJRBMQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c1-2-3-6-17(14,15)13-8(9(10,11)12)4-5-16-7-8/h13H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide?
N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide has a molecular weight of 275.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide is sourced from PubChem (CID 124882694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).