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

C17H14ClN3O4S2 — CID 88570143

IUPAC5-chloro-2-hydroxy-4-methyl-N-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(S(=O)(=O)c2csc(NC(=O)c3cc(Cl)c(C)cc3O)n2)n1
InChIInChI=1S/C17H14ClN3O4S2/c1-9-6-13(22)11(7-12(9)18)16(23)21-17-20-15(8-26-17)27(24,25)14-5-3-4-10(2)19-14/h3-8,22H,1-2H3,(H,20,21,23)
InChIKeyWXTONRNMUATNPP-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.60
Rot. Bonds4

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

5-chloro-2-hydroxy-4-methyl-N-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 88570143) 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-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-4-methyl-N-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide
PubChem CID88570143
Molecular FormulaC17H14ClN3O4S2
Molecular Weight423.90 g/mol
Exact Mass423.01
IUPAC Name5-chloro-2-hydroxy-4-methyl-N-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1cccc(S(=O)(=O)c2csc(NC(=O)c3cc(Cl)c(C)cc3O)n2)n1
InChIInChI=1S/C17H14ClN3O4S2/c1-9-6-13(22)11(7-12(9)18)16(23)21-17-20-15(8-26-17)27(24,25)14-5-3-4-10(2)19-14/h3-8,22H,1-2H3,(H,20,21,23)
InChIKeyWXTONRNMUATNPP-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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Related Compounds

5-chloro-2-hydroxy-4-methyl-N-[5-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide
CID 57329733
N-[4-(benzenesulfonyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide
CID 50905290
N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 102523467
2-[(6-methylpyridine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 110472181
2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 973569
3-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 107097418
2-hydroxy-5-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 37018478
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43019001
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
2-methyl-5-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362533
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-4-methyl-N-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-4-methyl-N-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide (CID 88570143) is 5-chloro-2-hydroxy-4-methyl-N-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-4-methyl-N-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-4-methyl-N-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide is Cc1cccc(S(=O)(=O)c2csc(NC(=O)c3cc(Cl)c(C)cc3O)n2)n1.
What is the InChIKey of 5-chloro-2-hydroxy-4-methyl-N-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is WXTONRNMUATNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S2/c1-9-6-13(22)11(7-12(9)18)16(23)21-17-20-15(8-26-17)27(24,25)14-5-3-4-10(2)19-14/h3-8,22H,1-2H3,(H,20,21,23).
What are the key properties of 5-chloro-2-hydroxy-4-methyl-N-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide?
5-chloro-2-hydroxy-4-methyl-N-[4-[(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-[4-[(6-methyl-2-pyridinyl)sulfonyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 88570143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).