[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide

C19H17N4O5S- — CID 5209976

IUPAC[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1
InChIInChI=1S/C19H18N4O5S/c1-27-15-5-3-6-16(28-2)17(15)18(24)22-13-7-9-14(10-8-13)29(25,26)23-19-20-11-4-12-21-19/h3-12H,1-2H3,(H2,20,21,22,23,24)/p-1
InChIKeyKAQGTQMRXNVRPU-UHFFFAOYSA-M
MW413.44 g/mol
LogP3.14
Rot. Bonds7

About [4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide

[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide (PubChem CID 5209976) has the molecular formula C19H17N4O5S- and a molecular weight of 413.44 g/mol. Its IUPAC name is [4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide.

Molecular Properties

Compound Name[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide
PubChem CID5209976
Molecular FormulaC19H17N4O5S-
Molecular Weight413.44 g/mol
Exact Mass413.09
IUPAC Name[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1
InChIInChI=1S/C19H18N4O5S/c1-27-15-5-3-6-16(28-2)17(15)18(24)22-13-7-9-14(10-8-13)29(25,26)23-19-20-11-4-12-21-19/h3-12H,1-2H3,(H2,20,21,22,23,24)/p-1
InChIKeyKAQGTQMRXNVRPU-UHFFFAOYSA-M
XLogP3.14
TPSA121.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethoxy-N-(4-sulfamoylphenyl)benzamide
CID 954656
[4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide
CID 5061548
[4-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4574778
2,6-dimethoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 28578712
[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 4755554
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
CID 110726514
2,6-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1181025
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
(4-acetamidophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
CID 3691554

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide?
The IUPAC name of [4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide (CID 5209976) is [4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide.
What is the SMILES notation for [4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide?
The canonical SMILES for [4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide is COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.
What is the InChIKey of [4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide?
The InChIKey is KAQGTQMRXNVRPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18N4O5S/c1-27-15-5-3-6-16(28-2)17(15)18(24)22-13-7-9-14(10-8-13)29(25,26)23-19-20-11-4-12-21-19/h3-12H,1-2H3,(H2,20,21,22,23,24)/p-1.
What are the key properties of [4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide?
[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide has a molecular weight of 413.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfonyl-pyrimidin-2-ylazanide is sourced from PubChem (CID 5209976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).