4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide

C16H21N5O2S — CID 72848257

IUPAC4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H21N5O2S/c17-24(22,23)15-4-2-13(3-5-15)12-20-14-6-10-21(11-7-14)16-18-8-1-9-19-16/h1-5,8-9,14,20H,6-7,10-12H2,(H2,17,22,23)
InChIKeyVSKNHEUXALASNH-UHFFFAOYSA-N
MW347.44 g/mol
LogP0.88
Rot. Bonds5

About 4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide

4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide (PubChem CID 72848257) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide
PubChem CID72848257
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNC2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C16H21N5O2S/c17-24(22,23)15-4-2-13(3-5-15)12-20-14-6-10-21(11-7-14)16-18-8-1-9-19-16/h1-5,8-9,14,20H,6-7,10-12H2,(H2,17,22,23)
InChIKeyVSKNHEUXALASNH-UHFFFAOYSA-N
XLogP0.88
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675588
4-[[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzenesulfonamide
CID 72899174
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
N-(pyrazin-2-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 62761801
N-[(5-bromofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675593
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767
N-[(5-iodofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779441
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587
1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 55746567
4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]benzenesulfonamide
CID 106658015

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide (CID 72848257) is 4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNC2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide?
The InChIKey is VSKNHEUXALASNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c17-24(22,23)15-4-2-13(3-5-15)12-20-14-6-10-21(11-7-14)16-18-8-1-9-19-16/h1-5,8-9,14,20H,6-7,10-12H2,(H2,17,22,23).
What are the key properties of 4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide?
4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 72848257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).