2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C19H16Cl2N4O3S — CID 1010695

IUPAC2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)n1
InChIInChI=1S/C19H16Cl2N4O3S/c1-11-9-12(2)23-19(22-11)25-29(27,28)15-6-4-14(5-7-15)24-18(26)16-10-13(20)3-8-17(16)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyCDTWDIQYFMOTSS-UHFFFAOYSA-N
MW451.34 g/mol
LogP4.45
Rot. Bonds5

About 2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1010695) has the molecular formula C19H16Cl2N4O3S and a molecular weight of 451.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID1010695
Molecular FormulaC19H16Cl2N4O3S
Molecular Weight451.34 g/mol
Exact Mass450.03
IUPAC Name2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)n1
InChIInChI=1S/C19H16Cl2N4O3S/c1-11-9-12(2)23-19(22-11)25-29(27,28)15-6-4-14(5-7-15)24-18(26)16-10-13(20)3-8-17(16)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyCDTWDIQYFMOTSS-UHFFFAOYSA-N
XLogP4.45
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-iodobenzamide
CID 43914888
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
5-bromo-2-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 43914471
3,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 18848606
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99954541
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 4199590
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25034798

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 1010695) is 2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)n1.
What is the InChIKey of 2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is CDTWDIQYFMOTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3S/c1-11-9-12(2)23-19(22-11)25-29(27,28)15-6-4-14(5-7-15)24-18(26)16-10-13(20)3-8-17(16)21/h3-10H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 451.34 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1010695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).