2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C19H17ClN4O4S — CID 4205576

IUPAC2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H17ClN4O4S/c1-13(28-16-5-2-4-14(20)12-16)18(25)23-15-6-8-17(9-7-15)29(26,27)24-19-21-10-3-11-22-19/h2-13H,1H3,(H,23,25)(H,21,22,24)
InChIKeyVLWRRQURSRQGQH-UHFFFAOYSA-N
MW432.89 g/mol
LogP3.34
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 4205576) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID4205576
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Name2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C19H17ClN4O4S/c1-13(28-16-5-2-4-14(20)12-16)18(25)23-15-6-8-17(9-7-15)29(26,27)24-19-21-10-3-11-22-19/h2-13H,1H3,(H,23,25)(H,21,22,24)
InChIKeyVLWRRQURSRQGQH-UHFFFAOYSA-N
XLogP3.34
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenoxyacetamide
CID 1116398
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788595
2-(2-chlorophenoxy)-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)acetamide
CID 1014082
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1103426
2-(4-tert-butylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1183047
2-Phenoxy-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide
CID 3151769
2-[4-[[5-Methyl-2-(3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]acetamide
CID 49830509
2-(2,4-dichlorophenoxy)-N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)acetamide
CID 1010333
2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1183038
N-{4-[(Pyrimidin-2-YL)sulfamoyl]phenyl}-2-[4-(2,4,4-trimethylpentan-2-YL)phenoxy]acetamide
CID 1183048
2-(4-chlorophenoxy)-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide
CID 2250717
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 2562410

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 4205576) is 2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is VLWRRQURSRQGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c1-13(28-16-5-2-4-14(20)12-16)18(25)23-15-6-8-17(9-7-15)29(26,27)24-19-21-10-3-11-22-19/h2-13H,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 432.89 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 4205576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).