(3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride

C5H7ClF3NO2S — CID 129321622

IUPAC(3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C5H7ClF3NO2S/c6-13(11,12)10-2-1-4(3-10)5(7,8)9/h4H,1-3H2/t4-/m0/s1
InChIKeySNRSRJSSOYAZRP-BYPYZUCNSA-N
MW237.63 g/mol
LogP1.35
Rot. Bonds1

About (3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride

(3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride (PubChem CID 129321622) has the molecular formula C5H7ClF3NO2S and a molecular weight of 237.63 g/mol. Its IUPAC name is (3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride
PubChem CID129321622
Molecular FormulaC5H7ClF3NO2S
Molecular Weight237.63 g/mol
Exact Mass236.98
IUPAC Name(3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride
SMILESO=S(=O)(Cl)N1CC[C@H](C(F)(F)F)C1
InChIInChI=1S/C5H7ClF3NO2S/c6-13(11,12)10-2-1-4(3-10)5(7,8)9/h4H,1-3H2/t4-/m0/s1
InChIKeySNRSRJSSOYAZRP-BYPYZUCNSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride?
The IUPAC name of (3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride (CID 129321622) is (3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride is O=S(=O)(Cl)N1CC[C@H](C(F)(F)F)C1.
What is the InChIKey of (3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride?
The InChIKey is SNRSRJSSOYAZRP-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7ClF3NO2S/c6-13(11,12)10-2-1-4(3-10)5(7,8)9/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride?
(3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride has a molecular weight of 237.63 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 129321622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).