N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide

C25H19ClN4O3S — CID 92913526

IUPACN-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccc(/C=C\c3ccc(Cl)cc3)n2)cc1)c1ccccc1
InChIInChI=1S/C25H19ClN4O3S/c26-20-9-6-18(7-10-20)8-11-22-16-17-27-25(29-22)30-34(32,33)23-14-12-21(13-15-23)28-24(31)19-4-2-1-3-5-19/h1-17H,(H,28,31)(H,27,29,30)/b11-8-
InChIKeyDIDFAXPJFUWZLH-FLIBITNWSA-N
MW490.97 g/mol
LogP5.35
Rot. Bonds7

About N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide

N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide (PubChem CID 92913526) has the molecular formula C25H19ClN4O3S and a molecular weight of 490.97 g/mol. Its IUPAC name is N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide
PubChem CID92913526
Molecular FormulaC25H19ClN4O3S
Molecular Weight490.97 g/mol
Exact Mass490.09
IUPAC NameN-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccc(/C=C\c3ccc(Cl)cc3)n2)cc1)c1ccccc1
InChIInChI=1S/C25H19ClN4O3S/c26-20-9-6-18(7-10-20)8-11-22-16-17-27-25(29-22)30-34(32,33)23-14-12-21(13-15-23)28-24(31)19-4-2-1-3-5-19/h1-17H,(H,28,31)(H,27,29,30)/b11-8-
InChIKeyDIDFAXPJFUWZLH-FLIBITNWSA-N
XLogP5.35
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-[2-(2-fluorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide
CID 2901378
N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide
CID 71950843
1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182
N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 1179236
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 674488
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
4-(benzylamino)-N-[4-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
CID 5107795
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide?
The IUPAC name of N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide (CID 92913526) is N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccc(/C=C\c3ccc(Cl)cc3)n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide?
The InChIKey is DIDFAXPJFUWZLH-FLIBITNWSA-N. The full InChI is InChI=1S/C25H19ClN4O3S/c26-20-9-6-18(7-10-20)8-11-22-16-17-27-25(29-22)30-34(32,33)23-14-12-21(13-15-23)28-24(31)19-4-2-1-3-5-19/h1-17H,(H,28,31)(H,27,29,30)/b11-8-.
What are the key properties of N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide?
N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide has a molecular weight of 490.97 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(Z)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 92913526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).