3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide

C19H15BrClN3O6S — CID 155598088

IUPAC3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide
SMILESO=C(NCc1ccc(=O)[nH]c1)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O
InChIInChI=1S/C19H15BrClN3O6S/c20-11-2-3-15(25)16(5-11)31(29,30)24-14-7-12(21)6-13(18(14)27)19(28)23-9-10-1-4-17(26)22-8-10/h1-8,24-25,27H,9H2,(H,22,26)(H,23,28)
InChIKeyTUSHWPIWYXCASA-UHFFFAOYSA-N
MW528.77 g/mol
LogP2.93
Rot. Bonds6

About 3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide

3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide (PubChem CID 155598088) has the molecular formula C19H15BrClN3O6S and a molecular weight of 528.77 g/mol. Its IUPAC name is 3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide
PubChem CID155598088
Molecular FormulaC19H15BrClN3O6S
Molecular Weight528.77 g/mol
Exact Mass526.96
IUPAC Name3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide
SMILESO=C(NCc1ccc(=O)[nH]c1)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O
InChIInChI=1S/C19H15BrClN3O6S/c20-11-2-3-15(25)16(5-11)31(29,30)24-14-7-12(21)6-13(18(14)27)19(28)23-9-10-1-4-17(26)22-8-10/h1-8,24-25,27H,9H2,(H,22,26)(H,23,28)
InChIKeyTUSHWPIWYXCASA-UHFFFAOYSA-N
XLogP2.93
TPSA148.59 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.77
LogP ≤ 52.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

CID 155547629
CID 155547629
CID 155555585
CID 155555585
CID 155563120
CID 155563120
CID 145980060
CID 145980060
CID 155597881
CID 155597881
CID 155597884
CID 155597884
CID 155597919
CID 155597919
CID 155597958
CID 155597958
CID 155598054
CID 155598054
CID 155598145
CID 155598145
CID 165153320
CID 165153320
CID 167695584
CID 167695584

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide?
The IUPAC name of 3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide (CID 155598088) is 3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide is O=C(NCc1ccc(=O)[nH]c1)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O.
What is the InChIKey of 3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide?
The InChIKey is TUSHWPIWYXCASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClN3O6S/c20-11-2-3-15(25)16(5-11)31(29,30)24-14-7-12(21)6-13(18(14)27)19(28)23-9-10-1-4-17(26)22-8-10/h1-8,24-25,27H,9H2,(H,22,26)(H,23,28).
What are the key properties of 3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide?
3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide has a molecular weight of 528.77 g/mol, XLogP of 2.93, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-hydroxyphenyl)sulfonylamino]-5-chloro-2-hydroxy-N-[(6-oxo-1H-pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 155598088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).