3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide

C18H24N4O2S — CID 91967301

IUPAC3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1C
InChIInChI=1S/C18H24N4O2S/c1-14-6-7-17(12-15(14)2)25(23,24)20-13-16-8-9-19-18(21-16)22-10-4-3-5-11-22/h6-9,12,20H,3-5,10-11,13H2,1-2H3
InChIKeyFIIFYLPMKMSATD-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.56
Rot. Bonds5

About 3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide

3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 91967301) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID91967301
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1C
InChIInChI=1S/C18H24N4O2S/c1-14-6-7-17(12-15(14)2)25(23,24)20-13-16-8-9-19-18(21-16)22-10-4-3-5-11-22/h6-9,12,20H,3-5,10-11,13H2,1-2H3
InChIKeyFIIFYLPMKMSATD-UHFFFAOYSA-N
XLogP2.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352175
3,4-difluoro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967204
5-chloro-2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353239
4-cyano-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353301
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353047
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967327
2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122353268
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122353295
5-ethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
CID 122353235
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 122353302
2,4-diethoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353321
1-(3-methylphenyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353250

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 91967301) is 3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is FIIFYLPMKMSATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-14-6-7-17(12-15(14)2)25(23,24)20-13-16-8-9-19-18(21-16)22-10-4-3-5-11-22/h6-9,12,20H,3-5,10-11,13H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91967301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).