2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C13H13ClN4O4S — CID 132531856

IUPAC2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cnc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)nc1
InChIInChI=1S/C13H13ClN4O4S/c1-22-10-7-15-13(16-8-10)18-23(20,21)11-4-2-9(3-5-11)17-12(19)6-14/h2-5,7-8H,6H2,1H3,(H,17,19)(H,15,16,18)
InChIKeyUOGRGKSUTBXWRM-UHFFFAOYSA-N
MW356.79 g/mol
LogP1.46
Rot. Bonds6

About 2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 132531856) has the molecular formula C13H13ClN4O4S and a molecular weight of 356.79 g/mol. Its IUPAC name is 2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID132531856
Molecular FormulaC13H13ClN4O4S
Molecular Weight356.79 g/mol
Exact Mass356.03
IUPAC Name2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1cnc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)nc1
InChIInChI=1S/C13H13ClN4O4S/c1-22-10-7-15-13(16-8-10)18-23(20,21)11-4-2-9(3-5-11)17-12(19)6-14/h2-5,7-8H,6H2,1H3,(H,17,19)(H,15,16,18)
InChIKeyUOGRGKSUTBXWRM-UHFFFAOYSA-N
XLogP1.46
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2597985
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 13013378
2-(2-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1164310
4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
CID 71397348
2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 92681019
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
2-(4-bromophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1013312
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3539926
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1334816
2-(4-chloro-3-methylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3543968

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 132531856) is 2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide is COc1cnc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)nc1.
What is the InChIKey of 2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is UOGRGKSUTBXWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O4S/c1-22-10-7-15-13(16-8-10)18-23(20,21)11-4-2-9(3-5-11)17-12(19)6-14/h2-5,7-8H,6H2,1H3,(H,17,19)(H,15,16,18).
What are the key properties of 2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 356.79 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 132531856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).