4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide

C22H15Cl2N3O2S2 — CID 10553008

IUPAC4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1csc(/N=C/c2ccccc2Cl)n1)c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2N3O2S2/c23-16-9-11-17(12-10-16)31(28,29)27-20-8-4-2-6-18(20)21-14-30-22(26-21)25-13-15-5-1-3-7-19(15)24/h1-14,27H/b25-13+
InChIKeyGSRSYDIVVRBVGJ-DHRITJCHSA-N
MW488.42 g/mol
LogP6.67
Rot. Bonds6

About 4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide

4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (PubChem CID 10553008) has the molecular formula C22H15Cl2N3O2S2 and a molecular weight of 488.42 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
PubChem CID10553008
Molecular FormulaC22H15Cl2N3O2S2
Molecular Weight488.42 g/mol
Exact Mass487.00
IUPAC Name4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1csc(/N=C/c2ccccc2Cl)n1)c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2N3O2S2/c23-16-9-11-17(12-10-16)31(28,29)27-20-8-4-2-6-18(20)21-14-30-22(26-21)25-13-15-5-1-3-7-19(15)24/h1-14,27H/b25-13+
InChIKeyGSRSYDIVVRBVGJ-DHRITJCHSA-N
XLogP6.67
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.42
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chlorobenzenesulfonamide
CID 15865923
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 90626948
1-[4-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)thiourea
CID 10720992
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 90626836
1-[4-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)thiourea
CID 10816023
3-[4-[(E)-[4-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]iminomethyl]-3-hydroxy-1-oxoisoquinolin-2-yl]-N-(2-fluorophenyl)benzenesulfonamide
CID 166186143
3,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 90626141
4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 10674405
4-fluoro-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121149546
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90626885
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-3-nitrobenzenesulfonamide
CID 90626956

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide (CID 10553008) is 4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1-c1csc(/N=C/c2ccccc2Cl)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
The InChIKey is GSRSYDIVVRBVGJ-DHRITJCHSA-N. The full InChI is InChI=1S/C22H15Cl2N3O2S2/c23-16-9-11-17(12-10-16)31(28,29)27-20-8-4-2-6-18(20)21-14-30-22(26-21)25-13-15-5-1-3-7-19(15)24/h1-14,27H/b25-13+.
What are the key properties of 4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide?
4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide has a molecular weight of 488.42 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-[(E)-(2-chlorophenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 10553008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).