5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide

C18H19BrN2O6S — CID 46510504

IUPAC5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)ccc2O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H19BrN2O6S/c1-26-16-5-3-13(20-18(23)14-10-12(19)2-4-15(14)22)11-17(16)28(24,25)21-6-8-27-9-7-21/h2-5,10-11,22H,6-9H2,1H3,(H,20,23)
InChIKeyAVHJEVFQGUTRDN-UHFFFAOYSA-N
MW471.33 g/mol
LogP2.44
Rot. Bonds5

About 5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide

5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 46510504) has the molecular formula C18H19BrN2O6S and a molecular weight of 471.33 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID46510504
Molecular FormulaC18H19BrN2O6S
Molecular Weight471.33 g/mol
Exact Mass470.01
IUPAC Name5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)ccc2O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H19BrN2O6S/c1-26-16-5-3-13(20-18(23)14-10-12(19)2-4-15(14)22)11-17(16)28(24,25)21-6-8-27-9-7-21/h2-5,10-11,22H,6-9H2,1H3,(H,20,23)
InChIKeyAVHJEVFQGUTRDN-UHFFFAOYSA-N
XLogP2.44
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1H-indole-2-carboxamide
CID 46566663
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456
2-(4-fluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4885170
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 100679263
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
CID 55341413
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755749
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992
5-bromo-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide
CID 17094493

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 46510504) is 5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide is COc1ccc(NC(=O)c2cc(Br)ccc2O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is AVHJEVFQGUTRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O6S/c1-26-16-5-3-13(20-18(23)14-10-12(19)2-4-15(14)22)11-17(16)28(24,25)21-6-8-27-9-7-21/h2-5,10-11,22H,6-9H2,1H3,(H,20,23).
What are the key properties of 5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide?
5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 471.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 46510504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).