4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide

C17H23N5O2S — CID 112856046

IUPAC4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cc(N3CCCCC3)ncn2)cc1
InChIInChI=1S/C17H23N5O2S/c18-25(23,24)15-6-4-14(5-7-15)8-9-19-16-12-17(21-13-20-16)22-10-2-1-3-11-22/h4-7,12-13H,1-3,8-11H2,(H2,18,23,24)(H,19,20,21)
InChIKeyXXKXPRIJWTZTSK-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.77
Rot. Bonds6

About 4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide

4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 112856046) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID112856046
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cc(N3CCCCC3)ncn2)cc1
InChIInChI=1S/C17H23N5O2S/c18-25(23,24)15-6-4-14(5-7-15)8-9-19-16-12-17(21-13-20-16)22-10-2-1-3-11-22/h4-7,12-13H,1-3,8-11H2,(H2,18,23,24)(H,19,20,21)
InChIKeyXXKXPRIJWTZTSK-UHFFFAOYSA-N
XLogP1.77
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544462
4-[2-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922508
4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175
4-[2-[[3-(azepan-1-yl)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955931
4-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112855301
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886
N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861382
4-[2-[(6-piperidin-1-ylsulfonylquinoxalin-2-yl)amino]ethyl]benzenesulfonamide
CID 45499421
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide (CID 112856046) is 4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2cc(N3CCCCC3)ncn2)cc1.
What is the InChIKey of 4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is XXKXPRIJWTZTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c18-25(23,24)15-6-4-14(5-7-15)8-9-19-16-12-17(21-13-20-16)22-10-2-1-3-11-22/h4-7,12-13H,1-3,8-11H2,(H2,18,23,24)(H,19,20,21).
What are the key properties of 4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 112856046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).