N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide

C16H17N3O3S — CID 39179415

IUPACN-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cnccn1
InChIInChI=1S/C16H17N3O3S/c20-16(15-11-17-9-10-18-15)19-12-5-7-14(8-6-12)23(21,22)13-3-1-2-4-13/h5-11,13H,1-4H2,(H,19,20)
InChIKeyKQOZJUAGATXUGS-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.45
Rot. Bonds4

About N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide

N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide (PubChem CID 39179415) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide
PubChem CID39179415
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cnccn1
InChIInChI=1S/C16H17N3O3S/c20-16(15-11-17-9-10-18-15)19-12-5-7-14(8-6-12)23(21,22)13-3-1-2-4-13/h5-11,13H,1-4H2,(H,19,20)
InChIKeyKQOZJUAGATXUGS-UHFFFAOYSA-N
XLogP2.45
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyclopentylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 648289
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide
CID 7116550
N-(4-sulfanylphenyl)pyrazine-2-carboxamide
CID 137223268
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 4985724
N-(4-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793132
N-[4-(sulfamoylmethyl)phenyl]pyrazine-2-carboxamide
CID 60715551
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazine-2-carboxamide
CID 1452900
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487
N-(4-pyridin-2-ylphenyl)pyrazine-2-carboxamide
CID 110461757
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide (CID 39179415) is N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cnccn1.
What is the InChIKey of N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide?
The InChIKey is KQOZJUAGATXUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16(15-11-17-9-10-18-15)19-12-5-7-14(8-6-12)23(21,22)13-3-1-2-4-13/h5-11,13H,1-4H2,(H,19,20).
What are the key properties of N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide?
N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 39179415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).