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

C18H15N5O4S — CID 1179236

IUPACN-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H15N5O4S/c24-16(13-5-2-1-3-6-13)22-18(25)21-14-7-9-15(10-8-14)28(26,27)23-17-19-11-4-12-20-17/h1-12H,(H,19,20,23)(H2,21,22,24,25)
InChIKeyVNTNZGRKQBFITB-UHFFFAOYSA-N
MW397.42 g/mol
LogP2.24
Rot. Bonds5

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

N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide (PubChem CID 1179236) has the molecular formula C18H15N5O4S and a molecular weight of 397.42 g/mol. Its IUPAC name is N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
PubChem CID1179236
Molecular FormulaC18H15N5O4S
Molecular Weight397.42 g/mol
Exact Mass397.08
IUPAC NameN-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H15N5O4S/c24-16(13-5-2-1-3-6-13)22-18(25)21-14-7-9-15(10-8-14)28(26,27)23-17-19-11-4-12-20-17/h1-12H,(H,19,20,23)(H2,21,22,24,25)
InChIKeyVNTNZGRKQBFITB-UHFFFAOYSA-N
XLogP2.24
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]urea
CID 2200922
4-oxo-4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 12042500
N-[1,4-dioxo-3-[4-(pyrimidin-2-ylsulfamoyl)anilino]naphthalen-2-yl]benzamide
CID 3299822
2,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 2937591
2,2-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 4185684
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 4671821
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoxaline-2-carboxamide
CID 53382181
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 34947849

Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide?
The IUPAC name of N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide (CID 1179236) is N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide?
The InChIKey is VNTNZGRKQBFITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4S/c24-16(13-5-2-1-3-6-13)22-18(25)21-14-7-9-15(10-8-14)28(26,27)23-17-19-11-4-12-20-17/h1-12H,(H,19,20,23)(H2,21,22,24,25).
What are the key properties of N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide?
N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide has a molecular weight of 397.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 1179236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).