N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide

C15H18N4O3S — CID 97348600

IUPACN-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide
SMILESC[C@@H](C(=O)N1CC(S(=O)(=O)Nc2ccccc2)C1)n1cccn1
InChIInChI=1S/C15H18N4O3S/c1-12(19-9-5-8-16-19)15(20)18-10-14(11-18)23(21,22)17-13-6-3-2-4-7-13/h2-9,12,14,17H,10-11H2,1H3/t12-/m0/s1
InChIKeyKWSLBQCNMPTAPG-LBPRGKRZSA-N
MW334.40 g/mol
LogP1.10
Rot. Bonds5

About N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide

N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide (PubChem CID 97348600) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide
PubChem CID97348600
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide
SMILESC[C@@H](C(=O)N1CC(S(=O)(=O)Nc2ccccc2)C1)n1cccn1
InChIInChI=1S/C15H18N4O3S/c1-12(19-9-5-8-16-19)15(20)18-10-14(11-18)23(21,22)17-13-6-3-2-4-7-13/h2-9,12,14,17H,10-11H2,1H3/t12-/m0/s1
InChIKeyKWSLBQCNMPTAPG-LBPRGKRZSA-N
XLogP1.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-carboxylic acid
CID 129493584
(2R)-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-pyrazol-1-ylpropan-1-one
CID 95583669
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 112630605
(2R)-1-(3-azidoazetidin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 129494652
2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317777
1-morpholin-4-yl-2-pyrazol-1-ylpropan-1-one
CID 51076822
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 134048474
1-[3-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119592942
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 120818010

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide?
The IUPAC name of N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide (CID 97348600) is N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide.
What is the SMILES notation for N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide?
The canonical SMILES for N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide is C[C@@H](C(=O)N1CC(S(=O)(=O)Nc2ccccc2)C1)n1cccn1.
What is the InChIKey of N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide?
The InChIKey is KWSLBQCNMPTAPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-12(19-9-5-8-16-19)15(20)18-10-14(11-18)23(21,22)17-13-6-3-2-4-7-13/h2-9,12,14,17H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide?
N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[(2S)-2-pyrazol-1-ylpropanoyl]azetidine-3-sulfonamide is sourced from PubChem (CID 97348600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).