N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide

C20H22N6O2S — CID 167963136

IUPACN-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2cncc(NC3CCNCC3)n2)c1)c1ccccc1
InChIInChI=1S/C20H22N6O2S/c27-29(28,18-4-2-1-3-5-18)26-17-10-15(11-22-12-17)19-13-23-14-20(25-19)24-16-6-8-21-9-7-16/h1-5,10-14,16,21,26H,6-9H2,(H,24,25)
InChIKeyYHRZVBHKWDIPJA-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.50
Rot. Bonds6

About N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide

N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 167963136) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID167963136
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2cncc(NC3CCNCC3)n2)c1)c1ccccc1
InChIInChI=1S/C20H22N6O2S/c27-29(28,18-4-2-1-3-5-18)26-17-10-15(11-22-12-17)19-13-23-14-20(25-19)24-16-6-8-21-9-7-16/h1-5,10-14,16,21,26H,6-9H2,(H,24,25)
InChIKeyYHRZVBHKWDIPJA-UHFFFAOYSA-N
XLogP2.50
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(5-chloro-3-methyl-2-piperidin-4-yloxyphenyl)-3-pyridinyl]benzenesulfonamide
CID 154876069
N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide
CID 138586342
N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 68508597
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 52936735
6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
CID 67959898
(E)-3-[3-[6-(cyclohexylamino)pyrazin-2-yl]phenyl]prop-2-enoic acid
CID 143631250
N-[6-(cyclopropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038121
N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 71049428
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-[5-(cyclopropylamino)-2-pyridinyl]benzenesulfonamide
CID 113023765
(E)-3-[3-[6-[(4-hydroxycyclohexyl)amino]pyrazin-2-yl]phenyl]prop-2-enoic acid
CID 24811473

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide (CID 167963136) is N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2cncc(NC3CCNCC3)n2)c1)c1ccccc1.
What is the InChIKey of N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is YHRZVBHKWDIPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c27-29(28,18-4-2-1-3-5-18)26-17-10-15(11-22-12-17)19-13-23-14-20(25-19)24-16-6-8-21-9-7-16/h1-5,10-14,16,21,26H,6-9H2,(H,24,25).
What are the key properties of N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide?
N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 167963136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).