4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide

C20H26N4O3S — CID 108566849

IUPAC4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C20H26N4O3S/c1-20(2,3)15-4-6-17(7-5-15)28(26,27)23-16-8-12-24(13-9-16)19(25)18-14-21-10-11-22-18/h4-7,10-11,14,16,23H,8-9,12-13H2,1-3H3
InChIKeyWXOHRJPGZXJDRF-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.36
Rot. Bonds4

About 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide

4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108566849) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108566849
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc1
InChIInChI=1S/C20H26N4O3S/c1-20(2,3)15-4-6-17(7-5-15)28(26,27)23-16-8-12-24(13-9-16)19(25)18-14-21-10-11-22-18/h4-7,10-11,14,16,23H,8-9,12-13H2,1-3H3
InChIKeyWXOHRJPGZXJDRF-UHFFFAOYSA-N
XLogP2.36
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108566860
4-ethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566859
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564360
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
3,5-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
CID 108566855
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
4-tert-butyl-N-[1-(2-cyanoacetyl)piperidin-4-yl]benzenesulfonamide
CID 108563235
4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
CID 42361479
N-[4-(cyclopentylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 648289
[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 86801703

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 108566849) is 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)c3cnccn3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is WXOHRJPGZXJDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-20(2,3)15-4-6-17(7-5-15)28(26,27)23-16-8-12-24(13-9-16)19(25)18-14-21-10-11-22-18/h4-7,10-11,14,16,23H,8-9,12-13H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide?
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108566849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).