2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide

C16H20ClN3O4S — CID 67021933

IUPAC2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)(CCCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H20ClN3O4S/c1-16(2,9-5-10-20-11-8-14(21)18-15(20)22)19-25(23,24)13-7-4-3-6-12(13)17/h3-4,6-8,11,19H,5,9-10H2,1-2H3,(H,18,21,22)
InChIKeyJBOQPWBCTKVTSY-UHFFFAOYSA-N
MW385.87 g/mol
LogP1.73
Rot. Bonds7

About 2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide

2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide (PubChem CID 67021933) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is 2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide
PubChem CID67021933
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC Name2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)(CCCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C16H20ClN3O4S/c1-16(2,9-5-10-20-11-8-14(21)18-15(20)22)19-25(23,24)13-7-4-3-6-12(13)17/h3-4,6-8,11,19H,5,9-10H2,1-2H3,(H,18,21,22)
InChIKeyJBOQPWBCTKVTSY-UHFFFAOYSA-N
XLogP1.73
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide 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 2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide (CID 67021933) is 2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide is CC(C)(CCCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is JBOQPWBCTKVTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c1-16(2,9-5-10-20-11-8-14(21)18-15(20)22)19-25(23,24)13-7-4-3-6-12(13)17/h3-4,6-8,11,19H,5,9-10H2,1-2H3,(H,18,21,22).
What are the key properties of 2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide?
2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 385.87 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(2,4-dioxopyrimidin-1-yl)-2-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 67021933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).