(2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide

C18H17FN4O3S — CID 55955653

IUPAC(2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C18H17FN4O3S/c1-13(22-27(25,26)15-5-3-2-4-6-15)18(24)21-14-7-8-17(16(19)11-14)23-10-9-20-12-23/h2-13,22H,1H3,(H,21,24)/t13-/m0/s1
InChIKeyDTPBLHNZAVWILE-ZDUSSCGKSA-N
MW388.42 g/mol
LogP2.32
Rot. Bonds6

About (2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide

(2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide (PubChem CID 55955653) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide
PubChem CID55955653
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name(2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C18H17FN4O3S/c1-13(22-27(25,26)15-5-3-2-4-6-15)18(24)21-14-7-8-17(16(19)11-14)23-10-9-20-12-23/h2-13,22H,1H3,(H,21,24)/t13-/m0/s1
InChIKeyDTPBLHNZAVWILE-ZDUSSCGKSA-N
XLogP2.32
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide 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

N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119860271
(2S)-2-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 119860264
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
CID 55856122
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide
CID 155945639
methyl (2S)-4-(3-fluoro-4-imidazol-1-ylanilino)-2-methyl-4-oxobutanoate
CID 97019374
2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide
CID 86904564
(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide
CID 124507638
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 60585065
2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
CID 2955850
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide (CID 55955653) is (2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide?
The InChIKey is DTPBLHNZAVWILE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-13(22-27(25,26)15-5-3-2-4-6-15)18(24)21-14-7-8-17(16(19)11-14)23-10-9-20-12-23/h2-13,22H,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide?
(2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide has a molecular weight of 388.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide is sourced from PubChem (CID 55955653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).