N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide

C15H12FN3O2S2 — CID 135347457

IUPACN-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide
SMILESNc1ncc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)s1
InChIInChI=1S/C15H12FN3O2S2/c16-11-3-7-13(8-4-11)23(20,21)19-12-5-1-10(2-6-12)14-9-18-15(17)22-14/h1-9,19H,(H2,17,18)
InChIKeyHKZANHZCPASRGG-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.33
Rot. Bonds4

About N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide

N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 135347457) has the molecular formula C15H12FN3O2S2 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID135347457
Molecular FormulaC15H12FN3O2S2
Molecular Weight349.41 g/mol
Exact Mass349.04
IUPAC NameN-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide
SMILESNc1ncc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)s1
InChIInChI=1S/C15H12FN3O2S2/c16-11-3-7-13(8-4-11)23(20,21)19-12-5-1-10(2-6-12)14-9-18-15(17)22-14/h1-9,19H,(H2,17,18)
InChIKeyHKZANHZCPASRGG-UHFFFAOYSA-N
XLogP3.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-((5-Isopropyl-1,3-thiazol-2-YL)amino)benzenesulfonamide
CID 5327097
N,5-Diphenyl-1,3-thiazol-2-amine
CID 619921
3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 2105710
1-(p-Tolyl)-3-[4-(thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 44582824
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 71624177
2,5-difluoro-4-[[(6S)-5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-6-yl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 137645851
4-methyl-N-[5-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 162648850
4-Amino-N-(5-methyl-1,3-thiazol-2-YL)benzenesulfonamide
CID 16786378
4-(benzylamino)-N-thiazol-2-yl-benzenesulfonamide
CID 487903
4-[(2-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 70701446
4-[[(1S)-1-phenylpropyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134586447
US11174268, Example 25
CID 134585190

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide (CID 135347457) is N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide is Nc1ncc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)s1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is HKZANHZCPASRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S2/c16-11-3-7-13(8-4-11)23(20,21)19-12-5-1-10(2-6-12)14-9-18-15(17)22-14/h1-9,19H,(H2,17,18).
What are the key properties of N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide?
N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-5-yl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 135347457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).