2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C24H20N4O3S2 — CID 92675622

IUPAC2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C24H20N4O3S2/c29-23(21-9-4-5-10-22(21)32-17-18-7-2-1-3-8-18)27-19-11-13-20(14-12-19)33(30,31)28-24-25-15-6-16-26-24/h1-16H,17H2,(H,27,29)(H,25,26,28)
InChIKeyQEQVGRRLHAARFH-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.82
Rot. Bonds8

About 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 92675622) has the molecular formula C24H20N4O3S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID92675622
Molecular FormulaC24H20N4O3S2
Molecular Weight476.58 g/mol
Exact Mass476.10
IUPAC Name2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1SCc1ccccc1
InChIInChI=1S/C24H20N4O3S2/c29-23(21-9-4-5-10-22(21)32-17-18-7-2-1-3-8-18)27-19-11-13-20(14-12-19)33(30,31)28-24-25-15-6-16-26-24/h1-16H,17H2,(H,27,29)(H,25,26,28)
InChIKeyQEQVGRRLHAARFH-UHFFFAOYSA-N
XLogP4.82
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
3-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 30396729
2-benzylsulfanyl-N-(4-chlorophenyl)benzamide
CID 1313702
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1164331
2-(2-methoxyethylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 25239822
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 1179236
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 53382181
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
CID 11164561
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 3148025

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 92675622) is 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is QEQVGRRLHAARFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S2/c29-23(21-9-4-5-10-22(21)32-17-18-7-2-1-3-8-18)27-19-11-13-20(14-12-19)33(30,31)28-24-25-15-6-16-26-24/h1-16H,17H2,(H,27,29)(H,25,26,28).
What are the key properties of 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 476.58 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 92675622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).