(3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide

C13H14FN3O3S — CID 95338730

IUPAC(3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide
SMILESC[C@@H](CC(=O)Nc1ccn[nH]1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O3S/c1-9(8-13(18)16-12-6-7-15-17-12)21(19,20)11-4-2-10(14)3-5-11/h2-7,9H,8H2,1H3,(H2,15,16,17,18)/t9-/m0/s1
InChIKeyFDNNJNOWLWBPGU-VIFPVBQESA-N
MW311.34 g/mol
LogP1.74
Rot. Bonds5

About (3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide

(3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide (PubChem CID 95338730) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide
PubChem CID95338730
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC Name(3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide
SMILESC[C@@H](CC(=O)Nc1ccn[nH]1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O3S/c1-9(8-13(18)16-12-6-7-15-17-12)21(19,20)11-4-2-10(14)3-5-11/h2-7,9H,8H2,1H3,(H2,15,16,17,18)/t9-/m0/s1
InChIKeyFDNNJNOWLWBPGU-VIFPVBQESA-N
XLogP1.74
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 4876179
3-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)propanamide
CID 39992334
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide
CID 56926498
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(1H-pyrazol-5-yl)acetamide
CID 56926722
2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42890807
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 2540970
(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 2540971
(2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 2540974
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 2540976
(2R)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 7553492
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 7553496
(2R)-2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8200026

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide?
The IUPAC name of (3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide (CID 95338730) is (3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide?
The canonical SMILES for (3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide is C[C@@H](CC(=O)Nc1ccn[nH]1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide?
The InChIKey is FDNNJNOWLWBPGU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14FN3O3S/c1-9(8-13(18)16-12-6-7-15-17-12)21(19,20)11-4-2-10(14)3-5-11/h2-7,9H,8H2,1H3,(H2,15,16,17,18)/t9-/m0/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide?
(3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide has a molecular weight of 311.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)sulfonyl-N-(1H-pyrazol-5-yl)butanamide is sourced from PubChem (CID 95338730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).