2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide

C19H26N4O2S — CID 91966700

IUPAC2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)c(C)c1
InChIInChI=1S/C19H26N4O2S/c1-14-11-15(2)19(16(3)12-14)26(24,25)21-13-17-20-8-7-18(22-17)23-9-5-4-6-10-23/h7-8,11-12,21H,4-6,9-10,13H2,1-3H3
InChIKeyRHXQEDBSMGVKOT-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.87
Rot. Bonds5

About 2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide

2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide (PubChem CID 91966700) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
PubChem CID91966700
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)c(C)c1
InChIInChI=1S/C19H26N4O2S/c1-14-11-15(2)19(16(3)12-14)26(24,25)21-13-17-20-8-7-18(22-17)23-9-5-4-6-10-23/h7-8,11-12,21H,4-6,9-10,13H2,1-3H3
InChIKeyRHXQEDBSMGVKOT-UHFFFAOYSA-N
XLogP2.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966578
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 72718077
4-methoxy-2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966585
5-fluoro-2-methoxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318624
5-bromo-2-ethoxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318717
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
3-chloro-4-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966599
1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966673
3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 72718132
1-methyl-2-propan-2-yl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122317619

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide (CID 91966700) is 2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is RHXQEDBSMGVKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-11-15(2)19(16(3)12-14)26(24,25)21-13-17-20-8-7-18(22-17)23-9-5-4-6-10-23/h7-8,11-12,21H,4-6,9-10,13H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91966700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).