N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide

C16H20N4O2S — CID 72718077

IUPACN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C16H20N4O2S/c21-23(22,14-7-3-1-4-8-14)18-13-15-17-10-9-16(19-15)20-11-5-2-6-12-20/h1,3-4,7-10,18H,2,5-6,11-13H2
InChIKeyMYTUMYRWDGKLTC-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.95
Rot. Bonds5

About N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide

N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide (PubChem CID 72718077) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
PubChem CID72718077
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C16H20N4O2S/c21-23(22,14-7-3-1-4-8-14)18-13-15-17-10-9-16(19-15)20-11-5-2-6-12-20/h1,3-4,7-10,18H,2,5-6,11-13H2
InChIKeyMYTUMYRWDGKLTC-UHFFFAOYSA-N
XLogP1.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318630
4-cyano-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122317623
2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966700
2,4,5-trimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966578
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966599
5-fluoro-2-methoxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318624
1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122317619
5-bromo-2-ethoxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318717
4-methoxy-2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966585
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966800
2,2-diphenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 91966645

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide (CID 72718077) is N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1nccc(N2CCCCC2)n1)c1ccccc1.
What is the InChIKey of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is MYTUMYRWDGKLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-23(22,14-7-3-1-4-8-14)18-13-15-17-10-9-16(19-15)20-11-5-2-6-12-20/h1,3-4,7-10,18H,2,5-6,11-13H2.
What are the key properties of N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 72718077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).