N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide

C18H16N4O4S — CID 1376612

IUPACN-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)ncn1
InChIInChI=1S/C18H16N4O4S/c1-26-17-11-16(19-12-20-17)22-27(24,25)15-9-7-14(8-10-15)21-18(23)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,23)(H,19,20,22)
InChIKeyIJEKDBHPAUBZRN-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.54
Rot. Bonds6

About N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide

N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1376612) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
PubChem CID1376612
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC NameN-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)ncn1
InChIInChI=1S/C18H16N4O4S/c1-26-17-11-16(19-12-20-17)22-27(24,25)15-9-7-14(8-10-15)21-18(23)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,23)(H,19,20,22)
InChIKeyIJEKDBHPAUBZRN-UHFFFAOYSA-N
XLogP2.54
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Foramsulfuron
CID 11419598
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-3-formamido-N,N-dimethylbenzamide
CID 213014
5-amino-N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]-2-dimethylaminocarbonylbenzenesulfonamide
CID 10862795
4-methoxy-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1989527
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-4-methoxybenzamide
CID 1936794
4-bromo-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1961113
N-(2-aminophenyl)-4-[[(6-methoxypyrimidin-4-yl)amino]methyl]benzamide
CID 22478730
N4-Acetylsulfadimethoxine
CID 473359
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-methoxyphenyl)acetamide
CID 1009728
2-(4-Methoxy-phenyl)-N-[4-(4-methyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1150931

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (CID 1376612) is N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)ncn1.
What is the InChIKey of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is IJEKDBHPAUBZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-26-17-11-16(19-12-20-17)22-27(24,25)15-9-7-14(8-10-15)21-18(23)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 384.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1376612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).