1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C15H17ClN4O4S — CID 2999686

IUPAC1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H17ClN4O4S/c1-10-9-13(19-24-10)17-15(21)18-14-3-2-8-20(14)25(22,23)12-6-4-11(16)5-7-12/h4-7,9,14H,2-3,8H2,1H3,(H2,17,18,19,21)
InChIKeyJSSYJHRYAFLRHW-UHFFFAOYSA-N
MW384.85 g/mol
LogP2.57
Rot. Bonds4

About 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea

1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 2999686) has the molecular formula C15H17ClN4O4S and a molecular weight of 384.85 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID2999686
Molecular FormulaC15H17ClN4O4S
Molecular Weight384.85 g/mol
Exact Mass384.07
IUPAC Name1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H17ClN4O4S/c1-10-9-13(19-24-10)17-15(21)18-14-3-2-8-20(14)25(22,23)12-6-4-11(16)5-7-12/h4-7,9,14H,2-3,8H2,1H3,(H2,17,18,19,21)
InChIKeyJSSYJHRYAFLRHW-UHFFFAOYSA-N
XLogP2.57
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2521899
2-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 7254252
2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-methylisoxazol-3-yl)propanamide
CID 44569589
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2406649
1-(2-Chloroethyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
CID 339560
1-[4-[(5-Methylisoxazol-3-yl)sulfamoyl]phenyl]-3-propyl-urea
CID 2730888
1-Butyl-3-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]urea
CID 2808946
3-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)propanamide
CID 7254320
1-Ethyl-3-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]urea
CID 13563870
1-[4-[(5-Methylisoxazol-3-yl)sulfamoyl]phenyl]-3-pentyl-urea
CID 145998450
1-Hexyl-3-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]urea
CID 145998451
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9117916

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 2999686) is 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea is Cc1cc(NC(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is JSSYJHRYAFLRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4S/c1-10-9-13(19-24-10)17-15(21)18-14-3-2-8-20(14)25(22,23)12-6-4-11(16)5-7-12/h4-7,9,14H,2-3,8H2,1H3,(H2,17,18,19,21).
What are the key properties of 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 384.85 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 2999686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).