2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

C18H15ClN4O3S — CID 1164395

IUPAC2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H15ClN4O3S/c19-14-4-2-13(3-5-14)12-17(24)22-15-6-8-16(9-7-15)27(25,26)23-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,24)(H,20,21,23)
InChIKeyDJHSFNOGNHCSNX-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.11
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide

2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1164395) has the molecular formula C18H15ClN4O3S and a molecular weight of 402.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1164395
Molecular FormulaC18H15ClN4O3S
Molecular Weight402.86 g/mol
Exact Mass402.06
IUPAC Name2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H15ClN4O3S/c19-14-4-2-13(3-5-14)12-17(24)22-15-6-8-16(9-7-15)27(25,26)23-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,24)(H,20,21,23)
InChIKeyDJHSFNOGNHCSNX-UHFFFAOYSA-N
XLogP3.11
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
4-({4-[3-(Piperidin-1-Ylcarbonyl)phenyl]pyrimidin-2-Yl}amino)benzenesulfonamide
CID 60210977
N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 145976744
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylacetamide
CID 1218957
4-amino-N-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
CID 5728920
N-[4-({4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]acetamide
CID 5730631
2-methyl-N-[4-({4-[(E)-2-phenylethenyl]pyrimidin-2-yl}sulfamoyl)phenyl]propanamide
CID 5929378
4-[(E)-[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-N-pyrimidin-2-yl-benzenesulfonamide
CID 335987
(2E)-3-(2-Chlorophenyl)-N-{4-[(pyrimidin-2-YL)sulfamoyl]phenyl}prop-2-enamide
CID 1105815
3-(4-Chlorophenyl)-N-(4-((2-pyrimidinylamino)sulfonyl)phenyl)acrylamide
CID 1115931
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide
CID 2915170
2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 3148017

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 1164395) is 2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is DJHSFNOGNHCSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3S/c19-14-4-2-13(3-5-14)12-17(24)22-15-6-8-16(9-7-15)27(25,26)23-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,24)(H,20,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 402.86 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1164395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).