2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole

C23H18ClNO3S2 — CID 155943131

IUPAC2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccc(CS(=O)(=O)c4ccc(Cl)cc4)cc3)n2)cc1
InChIInChI=1S/C23H18ClNO3S2/c1-28-20-10-6-17(7-11-20)22-14-29-23(25-22)18-4-2-16(3-5-18)15-30(26,27)21-12-8-19(24)9-13-21/h2-14H,15H2,1H3
InChIKeyWAHPXTQUCBPHSA-UHFFFAOYSA-N
MW455.99 g/mol
LogP6.11
Rot. Bonds6

About 2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole

2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 155943131) has the molecular formula C23H18ClNO3S2 and a molecular weight of 455.99 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole
PubChem CID155943131
Molecular FormulaC23H18ClNO3S2
Molecular Weight455.99 g/mol
Exact Mass455.04
IUPAC Name2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(-c3ccc(CS(=O)(=O)c4ccc(Cl)cc4)cc3)n2)cc1
InChIInChI=1S/C23H18ClNO3S2/c1-28-20-10-6-17(7-11-20)22-14-29-23(25-22)18-4-2-16(3-5-18)15-30(26,27)21-12-8-19(24)9-13-21/h2-14H,15H2,1H3
InChIKeyWAHPXTQUCBPHSA-UHFFFAOYSA-N
XLogP6.11
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-4-[[4-[4-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]phenyl]phenyl]sulfonylmethyl]benzene
CID 160857986
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
(Z)-3-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 87722246
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 108784171
N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9330105
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[4-[(4-methylphenyl)methylsulfonyl]phenyl]prop-2-enamide
CID 91494865
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[4-[(4-propan-2-ylphenyl)methylsulfonyl]phenyl]prop-2-enamide
CID 90937329
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole (CID 155943131) is 2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(-c3ccc(CS(=O)(=O)c4ccc(Cl)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is WAHPXTQUCBPHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO3S2/c1-28-20-10-6-17(7-11-20)22-14-29-23(25-22)18-4-2-16(3-5-18)15-30(26,27)21-12-8-19(24)9-13-21/h2-14H,15H2,1H3.
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole?
2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 455.99 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-4-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 155943131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).