N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide

C20H13Cl2FN2O2S2 — CID 46392575

IUPACN-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1
InChIInChI=1S/C20H13Cl2FN2O2S2/c1-11-2-4-13(23)9-19(11)29(26,27)25-14-5-6-15(16(22)10-14)20-24-17-7-3-12(21)8-18(17)28-20/h2-10,25H,1H3
InChIKeyFUEUJHOUWPAILD-UHFFFAOYSA-N
MW467.37 g/mol
LogP6.52
Rot. Bonds4

About N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide

N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 46392575) has the molecular formula C20H13Cl2FN2O2S2 and a molecular weight of 467.37 g/mol. Its IUPAC name is N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID46392575
Molecular FormulaC20H13Cl2FN2O2S2
Molecular Weight467.37 g/mol
Exact Mass465.98
IUPAC NameN-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1
InChIInChI=1S/C20H13Cl2FN2O2S2/c1-11-2-4-13(23)9-19(11)29(26,27)25-14-5-6-15(16(22)10-14)20-24-17-7-3-12(21)8-18(17)28-20/h2-10,25H,1H3
InChIKeyFUEUJHOUWPAILD-UHFFFAOYSA-N
XLogP6.52
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.37
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 46392544
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46392568
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide
CID 50835429
N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 46392543
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
CID 102236319
N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide
CID 50839994
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-4-propylbenzenesulfonamide
CID 46392507
N-(2-ethylsulfonyl-1,3-benzothiazol-6-yl)-2,4-difluorobenzenesulfonamide
CID 50839999

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide (CID 46392575) is N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is FUEUJHOUWPAILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN2O2S2/c1-11-2-4-13(23)9-19(11)29(26,27)25-14-5-6-15(16(22)10-14)20-24-17-7-3-12(21)8-18(17)28-20/h2-10,25H,1H3.
What are the key properties of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 467.37 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 46392575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).