2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide

C17H23N5O2S — CID 167951685

IUPAC2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide
SMILESCN(CC1CCNCC1)c1cnc(-c2ccccc2S(N)(=O)=O)cn1
InChIInChI=1S/C17H23N5O2S/c1-22(12-13-6-8-19-9-7-13)17-11-20-15(10-21-17)14-4-2-3-5-16(14)25(18,23)24/h2-5,10-11,13,19H,6-9,12H2,1H3,(H2,18,23,24)
InChIKeyAFMHWBPVUYXZAG-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.23
Rot. Bonds5

About 2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide

2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide (PubChem CID 167951685) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide
PubChem CID167951685
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide
SMILESCN(CC1CCNCC1)c1cnc(-c2ccccc2S(N)(=O)=O)cn1
InChIInChI=1S/C17H23N5O2S/c1-22(12-13-6-8-19-9-7-13)17-11-20-15(10-21-17)14-4-2-3-5-16(14)25(18,23)24/h2-5,10-11,13,19H,6-9,12H2,1H3,(H2,18,23,24)
InChIKeyAFMHWBPVUYXZAG-UHFFFAOYSA-N
XLogP1.23
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide (CID 167951685) is 2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide is CN(CC1CCNCC1)c1cnc(-c2ccccc2S(N)(=O)=O)cn1.
What is the InChIKey of 2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide?
The InChIKey is AFMHWBPVUYXZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-22(12-13-6-8-19-9-7-13)17-11-20-15(10-21-17)14-4-2-3-5-16(14)25(18,23)24/h2-5,10-11,13,19H,6-9,12H2,1H3,(H2,18,23,24).
What are the key properties of 2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide?
2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 167951685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).