N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide

C19H28N6O2S — CID 174704766

IUPACN,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCN(CC1CCNCC1)c1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2)ncn1
InChIInChI=1S/C19H28N6O2S/c1-24(2)28(26,27)17-6-4-16(5-7-17)23-18-12-19(22-14-21-18)25(3)13-15-8-10-20-11-9-15/h4-7,12,14-15,20H,8-11,13H2,1-3H3,(H,21,22,23)
InChIKeyZZUMCWYCMZRMEC-UHFFFAOYSA-N
MW404.54 g/mol
LogP1.91
Rot. Bonds7

About N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide

N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide (PubChem CID 174704766) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide
PubChem CID174704766
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC NameN,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCN(CC1CCNCC1)c1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2)ncn1
InChIInChI=1S/C19H28N6O2S/c1-24(2)28(26,27)17-6-4-16(5-7-17)23-18-12-19(22-14-21-18)25(3)13-15-8-10-20-11-9-15/h4-7,12,14-15,20H,8-11,13H2,1-3H3,(H,21,22,23)
InChIKeyZZUMCWYCMZRMEC-UHFFFAOYSA-N
XLogP1.91
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide (CID 174704766) is N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide is CN(CC1CCNCC1)c1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2)ncn1.
What is the InChIKey of N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide?
The InChIKey is ZZUMCWYCMZRMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-24(2)28(26,27)17-6-4-16(5-7-17)23-18-12-19(22-14-21-18)25(3)13-15-8-10-20-11-9-15/h4-7,12,14-15,20H,8-11,13H2,1-3H3,(H,21,22,23).
What are the key properties of N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide?
N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide has a molecular weight of 404.54 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 174704766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).