4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

C19H27N5O2S — CID 112896861

IUPAC4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCCC1CCCCN1c1nccc(NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H27N5O2S/c1-2-16-5-3-4-14-24(16)19-22-13-11-18(23-19)21-12-10-15-6-8-17(9-7-15)27(20,25)26/h6-9,11,13,16H,2-5,10,12,14H2,1H3,(H2,20,25,26)(H,21,22,23)
InChIKeyLLYCPVHWKGPMTP-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.55
Rot. Bonds7

About 4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 112896861) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID112896861
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCCC1CCCCN1c1nccc(NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H27N5O2S/c1-2-16-5-3-4-14-24(16)19-22-13-11-18(23-19)21-12-10-15-6-8-17(9-7-15)27(20,25)26/h6-9,11,13,16H,2-5,10,12,14H2,1H3,(H2,20,25,26)(H,21,22,23)
InChIKeyLLYCPVHWKGPMTP-UHFFFAOYSA-N
XLogP2.55
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide (CID 112896861) is 4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is CCC1CCCCN1c1nccc(NCCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is LLYCPVHWKGPMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-2-16-5-3-4-14-24(16)19-22-13-11-18(23-19)21-12-10-15-6-8-17(9-7-15)27(20,25)26/h6-9,11,13,16H,2-5,10,12,14H2,1H3,(H2,20,25,26)(H,21,22,23).
What are the key properties of 4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 389.53 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 112896861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).