N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide

C18H22FN3O3S2 — CID 16944488

IUPACN-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C18H22FN3O3S2/c1-11-8-12(2)10-22(9-11)17(23)16-13(3)20-18(26-16)21-27(24,25)15-6-4-14(19)5-7-15/h4-7,11-12H,8-10H2,1-3H3,(H,20,21)
InChIKeyIVWAHAVHWUPAAN-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.51
Rot. Bonds4

About N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 16944488) has the molecular formula C18H22FN3O3S2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
PubChem CID16944488
Molecular FormulaC18H22FN3O3S2
Molecular Weight411.52 g/mol
Exact Mass411.11
IUPAC NameN-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C18H22FN3O3S2/c1-11-8-12(2)10-22(9-11)17(23)16-13(3)20-18(26-16)21-27(24,25)15-6-4-14(19)5-7-15/h4-7,11-12H,8-10H2,1-3H3,(H,20,21)
InChIKeyIVWAHAVHWUPAAN-UHFFFAOYSA-N
XLogP3.51
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide 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-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 16944349
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 16944610
4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 25497663
methyl 1-[2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
CID 16944929
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507
[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 30142399
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 16944348
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944785
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944549
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944904

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide (CID 16944488) is N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(F)cc2)sc1C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is IVWAHAVHWUPAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S2/c1-11-8-12(2)10-22(9-11)17(23)16-13(3)20-18(26-16)21-27(24,25)15-6-4-14(19)5-7-15/h4-7,11-12H,8-10H2,1-3H3,(H,20,21).
What are the key properties of N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 411.52 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16944488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).