4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C18H15ClN2O4S2 — CID 58190038

IUPAC4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1C(=O)Cc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H15ClN2O4S2/c1-25-17-7-4-13(19)11-15(17)16(22)10-12-2-5-14(6-3-12)27(23,24)21-18-20-8-9-26-18/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyLXUGXXWMXVQMNQ-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.03
Rot. Bonds7

About 4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 58190038) has the molecular formula C18H15ClN2O4S2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID58190038
Molecular FormulaC18H15ClN2O4S2
Molecular Weight422.92 g/mol
Exact Mass422.02
IUPAC Name4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1C(=O)Cc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H15ClN2O4S2/c1-25-17-7-4-13(19)11-15(17)16(22)10-12-2-5-14(6-3-12)27(23,24)21-18-20-8-9-26-18/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyLXUGXXWMXVQMNQ-UHFFFAOYSA-N
XLogP4.03
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1291104
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 60823937
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
2-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 8961470
4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
2-(2,4-dichlorophenoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]propanamide
CID 5194118
2-methoxy-5-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43882672
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 98054838
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxy-5-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 71717554

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 58190038) is 4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1ccc(Cl)cc1C(=O)Cc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LXUGXXWMXVQMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S2/c1-25-17-7-4-13(19)11-15(17)16(22)10-12-2-5-14(6-3-12)27(23,24)21-18-20-8-9-26-18/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 422.92 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 58190038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).