5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide

C17H14ClN3O4S2 — CID 57329733

IUPAC5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(S(=O)(=O)c2cnc(NC(=O)c3cc(Cl)c(C)cc3O)s2)n1
InChIInChI=1S/C17H14ClN3O4S2/c1-9-6-13(22)11(7-12(9)18)16(23)21-17-19-8-15(26-17)27(24,25)14-5-3-4-10(2)20-14/h3-8,22H,1-2H3,(H,19,21,23)
InChIKeyLQUDHWNHEQGWLS-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.60
Rot. Bonds4

About 5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide

5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 57329733) has the molecular formula C17H14ClN3O4S2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide
PubChem CID57329733
Molecular FormulaC17H14ClN3O4S2
Molecular Weight423.90 g/mol
Exact Mass423.01
IUPAC Name5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(S(=O)(=O)c2cnc(NC(=O)c3cc(Cl)c(C)cc3O)s2)n1
InChIInChI=1S/C17H14ClN3O4S2/c1-9-6-13(22)11(7-12(9)18)16(23)21-17-19-8-15(26-17)27(24,25)14-5-3-4-10(2)20-14/h3-8,22H,1-2H3,(H,19,21,23)
InChIKeyLQUDHWNHEQGWLS-UHFFFAOYSA-N
XLogP3.60
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide (CID 57329733) is 5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide is Cc1cccc(S(=O)(=O)c2cnc(NC(=O)c3cc(Cl)c(C)cc3O)s2)n1.
What is the InChIKey of 5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is LQUDHWNHEQGWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S2/c1-9-6-13(22)11(7-12(9)18)16(23)21-17-19-8-15(26-17)27(24,25)14-5-3-4-10(2)20-14/h3-8,22H,1-2H3,(H,19,21,23).
What are the key properties of 5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide?
5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 423.90 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 57329733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).