1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide

C14H12ClN5O3S — CID 53494169

IUPAC1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide
SMILESO=c1[nH]c(-n2cccn2)ncc1NS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN5O3S/c15-11-4-2-10(3-5-11)9-24(22,23)19-12-8-16-14(18-13(12)21)20-7-1-6-17-20/h1-8,19H,9H2,(H,16,18,21)
InChIKeyGWKPSROOYDWZDE-UHFFFAOYSA-N
MW365.80 g/mol
LogP1.55
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide

1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide (PubChem CID 53494169) has the molecular formula C14H12ClN5O3S and a molecular weight of 365.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide
PubChem CID53494169
Molecular FormulaC14H12ClN5O3S
Molecular Weight365.80 g/mol
Exact Mass365.03
IUPAC Name1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide
SMILESO=c1[nH]c(-n2cccn2)ncc1NS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN5O3S/c15-11-4-2-10(3-5-11)9-24(22,23)19-12-8-16-14(18-13(12)21)20-7-1-6-17-20/h1-8,19H,9H2,(H,16,18,21)
InChIKeyGWKPSROOYDWZDE-UHFFFAOYSA-N
XLogP1.55
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide (CID 53494169) is 1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide is O=c1[nH]c(-n2cccn2)ncc1NS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide?
The InChIKey is GWKPSROOYDWZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O3S/c15-11-4-2-10(3-5-11)9-24(22,23)19-12-8-16-14(18-13(12)21)20-7-1-6-17-20/h1-8,19H,9H2,(H,16,18,21).
What are the key properties of 1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide?
1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide has a molecular weight of 365.80 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)methanesulfonamide is sourced from PubChem (CID 53494169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).