1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea

C16H13ClN2O4S — CID 19783515

IUPAC1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc2c(c1)C(=O)CC2
InChIInChI=1S/C16H13ClN2O4S/c17-11-3-5-12(6-4-11)18-16(21)19-24(22,23)13-7-1-10-2-8-15(20)14(10)9-13/h1,3-7,9H,2,8H2,(H2,18,19,21)
InChIKeyVMNGLNYDFGSMKM-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.98
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea

1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea (PubChem CID 19783515) has the molecular formula C16H13ClN2O4S and a molecular weight of 364.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea
PubChem CID19783515
Molecular FormulaC16H13ClN2O4S
Molecular Weight364.81 g/mol
Exact Mass364.03
IUPAC Name1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc2c(c1)C(=O)CC2
InChIInChI=1S/C16H13ClN2O4S/c17-11-3-5-12(6-4-11)18-16(21)19-24(22,23)13-7-1-10-2-8-15(20)14(10)9-13/h1,3-7,9H,2,8H2,(H2,18,19,21)
InChIKeyVMNGLNYDFGSMKM-UHFFFAOYSA-N
XLogP2.98
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]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

1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 134114974
1-(4-chlorophenyl)-3-(3-cyanophenyl)sulfonylurea
CID 14763066
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
1-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]-3-(4-chlorophenyl)sulfonylurea
CID 16734964
N-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]-N,2-dimethylpropanamide
CID 69346648
1-[4-(6-chloro-1,3-dioxo-4H-isoquinolin-2-yl)phenyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea
CID 20799264
zinc bis([4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide)
CID 10557985
2,4-dichloro-N-[4-[(2,4-dichlorobenzoyl)sulfamoyl]phenyl]benzamide
CID 5064055
1-(4-chlorophenyl)sulfonyl-3-[4-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl]urea
CID 16734957
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea (CID 19783515) is 1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea is O=C(Nc1ccc(Cl)cc1)NS(=O)(=O)c1ccc2c(c1)C(=O)CC2.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea?
The InChIKey is VMNGLNYDFGSMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4S/c17-11-3-5-12(6-4-11)18-16(21)19-24(22,23)13-7-1-10-2-8-15(20)14(10)9-13/h1,3-7,9H,2,8H2,(H2,18,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea?
1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea has a molecular weight of 364.81 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3-oxo-1,2-dihydroinden-5-yl)sulfonyl]urea is sourced from PubChem (CID 19783515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).