3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

C17H14ClN3O3S2 — CID 22581367

IUPAC3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C17H14ClN3O3S2/c18-13-1-3-14(4-2-13)26(23,24)10-7-16(22)21-17-20-15(11-25-17)12-5-8-19-9-6-12/h1-6,8-9,11H,7,10H2,(H,20,21,22)
InChIKeyMLSIIIMAQNQEOV-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.66
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 22581367) has the molecular formula C17H14ClN3O3S2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
PubChem CID22581367
Molecular FormulaC17H14ClN3O3S2
Molecular Weight407.90 g/mol
Exact Mass407.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C17H14ClN3O3S2/c18-13-1-3-14(4-2-13)26(23,24)10-7-16(22)21-17-20-15(11-25-17)12-5-8-19-9-6-12/h1-6,8-9,11H,7,10H2,(H,20,21,22)
InChIKeyMLSIIIMAQNQEOV-UHFFFAOYSA-N
XLogP3.66
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)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-[5-(5-benzenesulphonamido-6-chloropyridin-3-yl)-4-methylthiazol-2-yl]acetamide
CID 11541283
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
(4-Chloro-phenyl)-(4-pyridin-4-yl-thiazol-2-yl)-amine
CID 704499
(2S)-2-amino-N-[5-[6-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
CID 145952598
N-(3-{2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl}phenyl)acetamide
CID 2215490
N-(4-chlorophenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 704584
N-(3-Chlorophenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 1092467
4-chloro-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3462248
3-Chloro-N-(4-pyridin-2-yl-thiazol-2-yl)-benzamide
CID 3534313
2-Phenyl-N-[4-(pyridin-4-YL)-1,3-thiazol-2-YL]acetamide
CID 16344190
3-(4-fluorobenzenesulfonyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]propanamide
CID 22581373
N-[5-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 53495171

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (CID 22581367) is 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is MLSIIIMAQNQEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S2/c18-13-1-3-14(4-2-13)26(23,24)10-7-16(22)21-17-20-15(11-25-17)12-5-8-19-9-6-12/h1-6,8-9,11H,7,10H2,(H,20,21,22).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 407.90 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22581367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).