N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide

C15H22ClN7O2S — CID 86640203

IUPACN-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(CCN1CCN(c2nccnc2Cl)CC1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C15H22ClN7O2S/c1-20-12-13(11-19-20)26(24,25)21(2)5-6-22-7-9-23(10-8-22)15-14(16)17-3-4-18-15/h3-4,11-12H,5-10H2,1-2H3
InChIKeyUILWQKUHLFJCOM-UHFFFAOYSA-N
MW399.91 g/mol
LogP0.31
Rot. Bonds6

About N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide

N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 86640203) has the molecular formula C15H22ClN7O2S and a molecular weight of 399.91 g/mol. Its IUPAC name is N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID86640203
Molecular FormulaC15H22ClN7O2S
Molecular Weight399.91 g/mol
Exact Mass399.12
IUPAC NameN-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(CCN1CCN(c2nccnc2Cl)CC1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C15H22ClN7O2S/c1-20-12-13(11-19-20)26(24,25)21(2)5-6-22-7-9-23(10-8-22)15-14(16)17-3-4-18-15/h3-4,11-12H,5-10H2,1-2H3
InChIKeyUILWQKUHLFJCOM-UHFFFAOYSA-N
XLogP0.31
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide (CID 86640203) is N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide is CN(CCN1CCN(c2nccnc2Cl)CC1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is UILWQKUHLFJCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN7O2S/c1-20-12-13(11-19-20)26(24,25)21(2)5-6-22-7-9-23(10-8-22)15-14(16)17-3-4-18-15/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 399.91 g/mol, XLogP of 0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chloropyrazin-2-yl)piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 86640203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).