4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide

C17H18ClN3O3S — CID 16953579

IUPAC4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ncnc2c1CCC2
InChIInChI=1S/C17H18ClN3O3S/c18-12-6-8-13(9-7-12)25(23,24)10-2-5-16(22)21-17-14-3-1-4-15(14)19-11-20-17/h6-9,11H,1-5,10H2,(H,19,20,21,22)
InChIKeySBWYGIAGOXBWAT-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.81
Rot. Bonds6

About 4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide

4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide (PubChem CID 16953579) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide
PubChem CID16953579
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ncnc2c1CCC2
InChIInChI=1S/C17H18ClN3O3S/c18-12-6-8-13(9-7-12)25(23,24)10-2-5-16(22)21-17-14-3-1-4-15(14)19-11-20-17/h6-9,11H,1-5,10H2,(H,19,20,21,22)
InChIKeySBWYGIAGOXBWAT-UHFFFAOYSA-N
XLogP2.81
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide (CID 16953579) is 4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide is O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ncnc2c1CCC2.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide?
The InChIKey is SBWYGIAGOXBWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-12-6-8-13(9-7-12)25(23,24)10-2-5-16(22)21-17-14-3-1-4-15(14)19-11-20-17/h6-9,11H,1-5,10H2,(H,19,20,21,22).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide?
4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide has a molecular weight of 379.87 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 16953579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).