(2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate

C23H18ClN3O5S2 — CID 25045576

IUPAC(2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
SMILESO=C(OCc1csc(Nc2ccccc2)n1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O
InChIInChI=1S/C23H18ClN3O5S2/c24-19-8-4-5-9-20(19)27-34(30,31)17-10-11-21(28)18(12-17)22(29)32-13-16-14-33-23(26-16)25-15-6-2-1-3-7-15/h1-12,14,27-28H,13H2,(H,25,26)
InChIKeyLXMOXEHZWYSKBT-UHFFFAOYSA-N
MW516.00 g/mol
LogP5.40
Rot. Bonds8

About (2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate

(2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate (PubChem CID 25045576) has the molecular formula C23H18ClN3O5S2 and a molecular weight of 516.00 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
PubChem CID25045576
Molecular FormulaC23H18ClN3O5S2
Molecular Weight516.00 g/mol
Exact Mass515.04
IUPAC Name(2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
SMILESO=C(OCc1csc(Nc2ccccc2)n1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O
InChIInChI=1S/C23H18ClN3O5S2/c24-19-8-4-5-9-20(19)27-34(30,31)17-10-11-21(28)18(12-17)22(29)32-13-16-14-33-23(26-16)25-15-6-2-1-3-7-15/h1-12,14,27-28H,13H2,(H,25,26)
InChIKeyLXMOXEHZWYSKBT-UHFFFAOYSA-N
XLogP5.40
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.00
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2-anilino-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
CID 25047830
(2-anilino-1,3-thiazol-4-yl)methyl 4-(phenylsulfamoyl)benzoate
CID 25044147
(2-anilino-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
CID 23791262
(2-phenyl-1,3-thiazol-4-yl)methyl 3-[(2-chlorophenyl)sulfamoyl]benzoate
CID 25038213
2-O-[(2-anilino-1,3-thiazol-4-yl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505350
(2-phenyl-1,3-thiazol-4-yl)methyl 2-chloro-5-[(4-chlorophenyl)sulfamoyl]benzoate
CID 25048641
potassium 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
CID 23670809
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-methoxy-5-sulfamoylbenzoate
CID 16518384
(2-anilino-1,3-thiazol-4-yl)methyl 3-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate
CID 25039579
[2-(2-nitroanilino)-2-oxoethyl] 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
CID 3907213
(2-anilino-1,3-thiazol-4-yl)methyl 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate
CID 25045126
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 25035893

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate (CID 25045576) is (2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate is O=C(OCc1csc(Nc2ccccc2)n1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate?
The InChIKey is LXMOXEHZWYSKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O5S2/c24-19-8-4-5-9-20(19)27-34(30,31)17-10-11-21(28)18(12-17)22(29)32-13-16-14-33-23(26-16)25-15-6-2-1-3-7-15/h1-12,14,27-28H,13H2,(H,25,26).
What are the key properties of (2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate?
(2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate has a molecular weight of 516.00 g/mol, XLogP of 5.40, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)methyl 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate is sourced from PubChem (CID 25045576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).