3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide

C16H19ClN4O3S — CID 122298771

IUPAC3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(N3CCCCC3)nc2)cc1Cl
InChIInChI=1S/C16H19ClN4O3S/c1-24-15-6-5-13(9-14(15)17)25(22,23)20-12-10-18-16(19-11-12)21-7-3-2-4-8-21/h5-6,9-11,20H,2-4,7-8H2,1H3
InChIKeyFGYIGWPDKMMWSR-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.93
Rot. Bonds5

About 3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide

3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 122298771) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
PubChem CID122298771
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC Name3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(N3CCCCC3)nc2)cc1Cl
InChIInChI=1S/C16H19ClN4O3S/c1-24-15-6-5-13(9-14(15)17)25(22,23)20-12-10-18-16(19-11-12)21-7-3-2-4-8-21/h5-6,9-11,20H,2-4,7-8H2,1H3
InChIKeyFGYIGWPDKMMWSR-UHFFFAOYSA-N
XLogP2.93
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-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

Related Compounds

3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790196
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298753
5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298710
2-(azepan-1-yl)-5-(3-chloro-4-methoxyphenyl)sulfonylpyrimidin-4-amine
CID 53490570
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
CID 113092652
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790187
4-iodo-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298411
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 122301724
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968299
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide (CID 122298771) is 3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnc(N3CCCCC3)nc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is FGYIGWPDKMMWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-24-15-6-5-13(9-14(15)17)25(22,23)20-12-10-18-16(19-11-12)21-7-3-2-4-8-21/h5-6,9-11,20H,2-4,7-8H2,1H3.
What are the key properties of 3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide?
3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 382.87 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 122298771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).