2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide

C18H14ClN3O4S2 — CID 6619944

IUPAC2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C18H14ClN3O4S2/c19-13-8-4-5-9-14(13)21-16(23)11-27-18-20-10-15(17(24)22-18)28(25,26)12-6-2-1-3-7-12/h1-10H,11H2,(H,21,23)(H,20,22,24)
InChIKeyJFUWDJIJFITURH-UHFFFAOYSA-N
MW435.91 g/mol
LogP2.99
Rot. Bonds6

About 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide

2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide (PubChem CID 6619944) has the molecular formula C18H14ClN3O4S2 and a molecular weight of 435.91 g/mol. Its IUPAC name is 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
PubChem CID6619944
Molecular FormulaC18H14ClN3O4S2
Molecular Weight435.91 g/mol
Exact Mass435.01
IUPAC Name2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C18H14ClN3O4S2/c19-13-8-4-5-9-14(13)21-16(23)11-27-18-20-10-15(17(24)22-18)28(25,26)12-6-2-1-3-7-12/h1-10H,11H2,(H,21,23)(H,20,22,24)
InChIKeyJFUWDJIJFITURH-UHFFFAOYSA-N
XLogP2.99
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2642676
2-{[5-(4-Chlorobenzenesulfonyl)-6-oxo-1,6-dihydropyrimidin-2-YL]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 15988161
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 135452296
N-(2-chlorophenyl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfonyl]amino}-2-pyrimidinyl)sulfanyl]acetamide
CID 135460620
N-(2-chlorophenyl)-2-({4-hydroxy-6-[(phenylsulfonyl)amino]-2-pyrimidinyl}sulfanyl)acetamide
CID 135485205
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]acetamide
CID 135467357
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135480975
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 135440977
2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 135455080
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135517729
2-[[4-[(4-chlorophenyl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CID 135426174
2-((5-((4-chlorophenyl)sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(4-fluorophenyl)butanamide
CID 18592626

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide (CID 6619944) is 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide is O=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1)Nc1ccccc1Cl.
What is the InChIKey of 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide?
The InChIKey is JFUWDJIJFITURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4S2/c19-13-8-4-5-9-14(13)21-16(23)11-27-18-20-10-15(17(24)22-18)28(25,26)12-6-2-1-3-7-12/h1-10H,11H2,(H,21,23)(H,20,22,24).
What are the key properties of 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide?
2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide has a molecular weight of 435.91 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(benzenesulfonyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 6619944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).