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

C21H14ClFN2O2S2 — CID 108784162

IUPACN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H14ClFN2O2S2/c22-16-5-1-15(2-6-16)21-24-20(13-28-21)14-3-9-18(10-4-14)25-29(26,27)19-11-7-17(23)8-12-19/h1-13,25H
InChIKeyNYUNJDQPOATSCN-UHFFFAOYSA-N
MW444.94 g/mol
LogP6.07
Rot. Bonds5

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

N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide (PubChem CID 108784162) has the molecular formula C21H14ClFN2O2S2 and a molecular weight of 444.94 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide
PubChem CID108784162
Molecular FormulaC21H14ClFN2O2S2
Molecular Weight444.94 g/mol
Exact Mass444.02
IUPAC NameN-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H14ClFN2O2S2/c22-16-5-1-15(2-6-16)21-24-20(13-28-21)14-3-9-18(10-4-14)25-29(26,27)19-11-7-17(23)8-12-19/h1-13,25H
InChIKeyNYUNJDQPOATSCN-UHFFFAOYSA-N
XLogP6.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.94
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 108784171
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
2-fluoro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286327
3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286228
1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 122286474
(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 108770202
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 122286500
4-(benzenesulfonamido)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 121043565
2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1033169
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole
CID 5121122
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide
CID 167476558

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide (CID 108784162) is N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is NYUNJDQPOATSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O2S2/c22-16-5-1-15(2-6-16)21-24-20(13-28-21)14-3-9-18(10-4-14)25-29(26,27)19-11-7-17(23)8-12-19/h1-13,25H.
What are the key properties of N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide?
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 444.94 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 108784162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).