4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole

C22H18ClNO5S3 — CID 167344286

IUPAC4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole
SMILESCOCCS(=O)(=O)c1sc(-c2ccc3ccccc3c2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO5S3/c1-29-12-13-31(25,26)22-21(32(27,28)19-10-8-18(23)9-11-19)24-20(30-22)17-7-6-15-4-2-3-5-16(15)14-17/h2-11,14H,12-13H2,1H3
InChIKeyCHJCCJMPTDUYGV-UHFFFAOYSA-N
MW508.04 g/mol
LogP4.87
Rot. Bonds7

About 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole

4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole (PubChem CID 167344286) has the molecular formula C22H18ClNO5S3 and a molecular weight of 508.04 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole
PubChem CID167344286
Molecular FormulaC22H18ClNO5S3
Molecular Weight508.04 g/mol
Exact Mass507.00
IUPAC Name4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole
SMILESCOCCS(=O)(=O)c1sc(-c2ccc3ccccc3c2)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO5S3/c1-29-12-13-31(25,26)22-21(32(27,28)19-10-8-18(23)9-11-19)24-20(30-22)17-7-6-15-4-2-3-5-16(15)14-17/h2-11,14H,12-13H2,1H3
InChIKeyCHJCCJMPTDUYGV-UHFFFAOYSA-N
XLogP4.87
TPSA90.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.04
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-(2-methoxyethylsulfonyl)-1,3-thiazole
CID 167344371
2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-1,3-thiazole
CID 167344425
4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfinyl)-2-phenyl-1,3-thiazole
CID 167344429
4-(4-chlorophenyl)sulfonyl-2-(3-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-thiazole
CID 167344236
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576
(4-chlorophenyl)-[2-(2-fluorophenyl)-5-propylsulfonyl-1,3-thiazol-4-yl]-methylidene-oxo-λ6-sulfane
CID 156743656
2-(4-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)-1,3-oxazol-5-amine
CID 4704793
N-benzyl-5-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-amine
CID 135000474
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-N-(3-methoxypropyl)-1,3-oxazol-5-amine
CID 18827102
N-[(2-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-oxazol-5-amine
CID 18827120
2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 155943131

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole (CID 167344286) is 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole is COCCS(=O)(=O)c1sc(-c2ccc3ccccc3c2)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole?
The InChIKey is CHJCCJMPTDUYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO5S3/c1-29-12-13-31(25,26)22-21(32(27,28)19-10-8-18(23)9-11-19)24-20(30-22)17-7-6-15-4-2-3-5-16(15)14-17/h2-11,14H,12-13H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole?
4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole has a molecular weight of 508.04 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-5-(2-methoxyethylsulfonyl)-2-naphthalen-2-yl-1,3-thiazole is sourced from PubChem (CID 167344286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).