(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

C17H21ClN4O2S — CID 95819020

IUPAC(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C17H21ClN4O2S/c1-21(2)25(23,24)22-10-4-6-14(12-22)17-16(19-8-9-20-17)13-5-3-7-15(18)11-13/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3/t14-/m1/s1
InChIKeyAGIHXMRWGLBMJO-CQSZACIVSA-N
MW380.90 g/mol
LogP2.78
Rot. Bonds4

About (3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 95819020) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is (3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID95819020
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC Name(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C17H21ClN4O2S/c1-21(2)25(23,24)22-10-4-6-14(12-22)17-16(19-8-9-20-17)13-5-3-7-15(18)11-13/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3/t14-/m1/s1
InChIKeyAGIHXMRWGLBMJO-CQSZACIVSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (CID 95819020) is (3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1.
What is the InChIKey of (3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is AGIHXMRWGLBMJO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/c1-21(2)25(23,24)22-10-4-6-14(12-22)17-16(19-8-9-20-17)13-5-3-7-15(18)11-13/h3,5,7-9,11,14H,4,6,10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 95819020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).