4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide

C19H19FN4O3S2 — CID 23442746

IUPAC4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
SMILESCc1ccncc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C19H19FN4O3S2/c1-13-7-10-21-11-16(13)18(25)17-12-23-19(28-17)22-8-2-9-24-29(26,27)15-5-3-14(20)4-6-15/h3-7,10-12,24H,2,8-9H2,1H3,(H,22,23)
InChIKeyDPYZAHFZCJWNAB-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.00
Rot. Bonds9

About 4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide

4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide (PubChem CID 23442746) has the molecular formula C19H19FN4O3S2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
PubChem CID23442746
Molecular FormulaC19H19FN4O3S2
Molecular Weight434.52 g/mol
Exact Mass434.09
IUPAC Name4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
SMILESCc1ccncc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C19H19FN4O3S2/c1-13-7-10-21-11-16(13)18(25)17-12-23-19(28-17)22-8-2-9-24-29(26,27)15-5-3-14(20)4-6-15/h3-7,10-12,24H,2,8-9H2,1H3,(H,22,23)
InChIKeyDPYZAHFZCJWNAB-UHFFFAOYSA-N
XLogP3.00
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide with MolForge

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Related Compounds

5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
CID 23442503
N-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-4-methoxybenzenesulfonamide
CID 23442534
N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]thiophene-3-sulfonamide
CID 90709866
4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 23442573
N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide
CID 23442657
3-fluoro-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442586
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 23442548
N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]-4-nitrobenzenesulfonamide
CID 24887264
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 23442752
1-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-(4-fluorophenyl)urea
CID 23442749
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 24887011

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide (CID 23442746) is 4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide is Cc1ccncc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
The InChIKey is DPYZAHFZCJWNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S2/c1-13-7-10-21-11-16(13)18(25)17-12-23-19(28-17)22-8-2-9-24-29(26,27)15-5-3-14(20)4-6-15/h3-7,10-12,24H,2,8-9H2,1H3,(H,22,23).
What are the key properties of 4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide is sourced from PubChem (CID 23442746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).