4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride

C18H16ClNO3S2 — CID 20989972

IUPAC4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(-c2ccccc2OCCc2ccccc2)sc1S(=O)(=O)Cl
InChIInChI=1S/C18H16ClNO3S2/c1-13-18(25(19,21)22)24-17(20-13)15-9-5-6-10-16(15)23-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyWXNFGPKMQXAEBH-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.67
Rot. Bonds6

About 4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride

4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride (PubChem CID 20989972) has the molecular formula C18H16ClNO3S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride
PubChem CID20989972
Molecular FormulaC18H16ClNO3S2
Molecular Weight393.92 g/mol
Exact Mass393.03
IUPAC Name4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(-c2ccccc2OCCc2ccccc2)sc1S(=O)(=O)Cl
InChIInChI=1S/C18H16ClNO3S2/c1-13-18(25(19,21)22)24-17(20-13)15-9-5-6-10-16(15)23-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
InChIKeyWXNFGPKMQXAEBH-UHFFFAOYSA-N
XLogP4.67
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride (CID 20989972) is 4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride is Cc1nc(-c2ccccc2OCCc2ccccc2)sc1S(=O)(=O)Cl.
What is the InChIKey of 4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is WXNFGPKMQXAEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S2/c1-13-18(25(19,21)22)24-17(20-13)15-9-5-6-10-16(15)23-12-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3.
What are the key properties of 4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride?
4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 393.92 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-phenylethoxy)phenyl]-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 20989972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).