N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide

C17H22ClN5O2S — CID 86640201

IUPACN-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide
SMILESCN(CCN1CCN(c2nccnc2Cl)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22ClN5O2S/c1-21(26(24,25)15-5-3-2-4-6-15)9-10-22-11-13-23(14-12-22)17-16(18)19-7-8-20-17/h2-8H,9-14H2,1H3
InChIKeyUNPHGLRNLSSQGV-UHFFFAOYSA-N
MW395.92 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide

N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide (PubChem CID 86640201) has the molecular formula C17H22ClN5O2S and a molecular weight of 395.92 g/mol. Its IUPAC name is N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide
PubChem CID86640201
Molecular FormulaC17H22ClN5O2S
Molecular Weight395.92 g/mol
Exact Mass395.12
IUPAC NameN-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide
SMILESCN(CCN1CCN(c2nccnc2Cl)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22ClN5O2S/c1-21(26(24,25)15-5-3-2-4-6-15)9-10-22-11-13-23(14-12-22)17-16(18)19-7-8-20-17/h2-8H,9-14H2,1H3
InChIKeyUNPHGLRNLSSQGV-UHFFFAOYSA-N
XLogP1.57
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide (CID 86640201) is N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide is CN(CCN1CCN(c2nccnc2Cl)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide?
The InChIKey is UNPHGLRNLSSQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2S/c1-21(26(24,25)15-5-3-2-4-6-15)9-10-22-11-13-23(14-12-22)17-16(18)19-7-8-20-17/h2-8H,9-14H2,1H3.
What are the key properties of N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide?
N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide has a molecular weight of 395.92 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 86640201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).