(2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide

C15H20N4O2S — CID 95716429

IUPAC(2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H20N4O2S/c20-22(21,17-12-14-6-2-1-3-7-14)19-11-4-8-15(19)13-18-10-5-9-16-18/h1-3,5-7,9-10,15,17H,4,8,11-13H2/t15-/m0/s1
InChIKeyCOYHJAHNFJWTPF-HNNXBMFYSA-N
MW320.42 g/mol
LogP1.38
Rot. Bonds6

About (2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide

(2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide (PubChem CID 95716429) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide
PubChem CID95716429
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H20N4O2S/c20-22(21,17-12-14-6-2-1-3-7-14)19-11-4-8-15(19)13-18-10-5-9-16-18/h1-3,5-7,9-10,15,17H,4,8,11-13H2/t15-/m0/s1
InChIKeyCOYHJAHNFJWTPF-HNNXBMFYSA-N
XLogP1.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide (CID 95716429) is (2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide is O=S(=O)(NCc1ccccc1)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of (2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide?
The InChIKey is COYHJAHNFJWTPF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c20-22(21,17-12-14-6-2-1-3-7-14)19-11-4-8-15(19)13-18-10-5-9-16-18/h1-3,5-7,9-10,15,17H,4,8,11-13H2/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide?
(2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(pyrazol-1-ylmethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 95716429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).