2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide

C16H18N4O3S — CID 131960359

IUPAC2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H18N4O3S/c21-16(19-15-12-17-8-9-18-15)13-6-2-3-7-14(13)24(22,23)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2,(H,18,19,21)
InChIKeyFBJBAVXOUGCIKX-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.90
Rot. Bonds4

About 2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide

2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide (PubChem CID 131960359) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide
PubChem CID131960359
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H18N4O3S/c21-16(19-15-12-17-8-9-18-15)13-6-2-3-7-14(13)24(22,23)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2,(H,18,19,21)
InChIKeyFBJBAVXOUGCIKX-UHFFFAOYSA-N
XLogP1.90
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
N-(5-fluoro-2-pyridinyl)-2-morpholin-4-ylsulfonylbenzamide
CID 52871230
2-piperidin-1-ylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 55602026
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
2-bromo-N-pyrazin-2-ylbenzamide
CID 43409356
N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33250445
2-piperidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 55507349
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55333075
N-(4-acetyl-1,3-thiazol-2-yl)-2-piperidin-1-ylsulfonylbenzamide
CID 55435497
N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33176179
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
CID 119223642

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide?
The IUPAC name of 2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide (CID 131960359) is 2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide is O=C(Nc1cnccn1)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide?
The InChIKey is FBJBAVXOUGCIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c21-16(19-15-12-17-8-9-18-15)13-6-2-3-7-14(13)24(22,23)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2,(H,18,19,21).
What are the key properties of 2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide?
2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide has a molecular weight of 346.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylsulfonyl-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 131960359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).