4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride

C21H14Cl2N2O2S2 — CID 73357089

IUPAC4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(/N=c2\sc(-c3ccc(Cl)cc3)cn2-c2ccccc2)cc1
InChIInChI=1S/C21H14Cl2N2O2S2/c22-16-8-6-15(7-9-16)20-14-25(18-4-2-1-3-5-18)21(28-20)24-17-10-12-19(13-11-17)29(23,26)27/h1-14H/b24-21-
InChIKeyVHGKRHOJMQAKBN-FLFQWRMESA-N
MW461.40 g/mol
LogP6.02
Rot. Bonds4

About 4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride

4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride (PubChem CID 73357089) has the molecular formula C21H14Cl2N2O2S2 and a molecular weight of 461.40 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride
PubChem CID73357089
Molecular FormulaC21H14Cl2N2O2S2
Molecular Weight461.40 g/mol
Exact Mass459.99
IUPAC Name4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(/N=c2\sc(-c3ccc(Cl)cc3)cn2-c2ccccc2)cc1
InChIInChI=1S/C21H14Cl2N2O2S2/c22-16-8-6-15(7-9-16)20-14-25(18-4-2-1-3-5-18)21(28-20)24-17-10-12-19(13-11-17)29(23,26)27/h1-14H/b24-21-
InChIKeyVHGKRHOJMQAKBN-FLFQWRMESA-N
XLogP6.02
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.40
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-Chlorophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 122185235
4-[[3-Cyclohexyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 122185238
4-[[4-(2,4-Dichlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 145979979
4-[[4-(4-Chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 145989219
EMAC10101d
CID 155817800
4-[[4-(4-Chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]benzenesulfonamide
CID 156012141
2-(4-Chlorophenyl)-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole
CID 118710094
4-[4,6-diamino-2-(4-chlorophenyl)-2H-1,3,5-triazin-1-yl]benzenesulfonamide
CID 272645
2-(4-Chlorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydroimidazole
CID 58661838
4-[[3-Benzyl-5-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride
CID 73357088
4-[(2S)-4,6-diamino-2-(4-chlorophenyl)-2H-1,3,5-triazin-1-yl]benzenesulfonamide
CID 3246407
4-[(2R)-4,6-diamino-2-(4-chlorophenyl)-2H-1,3,5-triazin-1-yl]benzenesulfonamide
CID 6713805

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride?
The IUPAC name of 4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride (CID 73357089) is 4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(/N=c2\sc(-c3ccc(Cl)cc3)cn2-c2ccccc2)cc1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride?
The InChIKey is VHGKRHOJMQAKBN-FLFQWRMESA-N. The full InChI is InChI=1S/C21H14Cl2N2O2S2/c22-16-8-6-15(7-9-16)20-14-25(18-4-2-1-3-5-18)21(28-20)24-17-10-12-19(13-11-17)29(23,26)27/h1-14H/b24-21-.
What are the key properties of 4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride?
4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride has a molecular weight of 461.40 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]benzenesulfonyl chloride is sourced from PubChem (CID 73357089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).