(2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide

C19H19FN4O3S — CID 55941469

IUPAC(2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C19H19FN4O3S/c1-14(23-28(26,27)17-10-6-5-9-16(17)20)19(25)22-18-11-12-21-24(18)13-15-7-3-2-4-8-15/h2-12,14,23H,13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyBYFFYIBSFCJQLC-AWEZNQCLSA-N
MW402.45 g/mol
LogP2.38
Rot. Bonds7

About (2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide

(2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide (PubChem CID 55941469) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is (2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
PubChem CID55941469
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name(2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C19H19FN4O3S/c1-14(23-28(26,27)17-10-6-5-9-16(17)20)19(25)22-18-11-12-21-24(18)13-15-7-3-2-4-8-15/h2-12,14,23H,13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyBYFFYIBSFCJQLC-AWEZNQCLSA-N
XLogP2.38
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide (CID 55941469) is (2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of (2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is BYFFYIBSFCJQLC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-14(23-28(26,27)17-10-6-5-9-16(17)20)19(25)22-18-11-12-21-24(18)13-15-7-3-2-4-8-15/h2-12,14,23H,13H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide?
(2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 402.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55941469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).