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

C18H15ClN4O4S — CID 3917847

IUPAC4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ncn1
InChIInChI=1S/C18H15ClN4O4S/c1-27-17-10-16(20-11-21-17)23-28(25,26)15-8-6-14(7-9-15)22-18(24)12-2-4-13(19)5-3-12/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeySAAIZSMGJKJUBS-UHFFFAOYSA-N
MW418.86 g/mol
LogP3.19
Rot. Bonds6

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

4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (PubChem CID 3917847) has the molecular formula C18H15ClN4O4S and a molecular weight of 418.86 g/mol. Its IUPAC name is 4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
PubChem CID3917847
Molecular FormulaC18H15ClN4O4S
Molecular Weight418.86 g/mol
Exact Mass418.05
IUPAC Name4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ncn1
InChIInChI=1S/C18H15ClN4O4S/c1-27-17-10-16(20-11-21-17)23-28(25,26)15-8-6-14(7-9-15)22-18(24)12-2-4-13(19)5-3-12/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeySAAIZSMGJKJUBS-UHFFFAOYSA-N
XLogP3.19
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trihydroxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 90479890
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 5165415
1-(3-chlorophenyl)-3-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 54782827
3-bromo-4-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 54782897
4-butoxy-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 54783349
4-iodo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 1017818
N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-pentoxybenzamide
CID 54783344
N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 54783055
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide
CID 54783047

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (CID 3917847) is 4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ncn1.
What is the InChIKey of 4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is SAAIZSMGJKJUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4S/c1-27-17-10-16(20-11-21-17)23-28(25,26)15-8-6-14(7-9-15)22-18(24)12-2-4-13(19)5-3-12/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 418.86 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 3917847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).