1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide

C15H14FN3O3S — CID 99696724

IUPAC1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cnccn1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H14FN3O3S/c16-12-4-2-11(3-5-12)15(6-1-7-15)14(20)19-23(21,22)13-10-17-8-9-18-13/h2-5,8-10H,1,6-7H2,(H,19,20)
InChIKeyJOJQKFSSUOQNKC-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.54
Rot. Bonds4

About 1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide (PubChem CID 99696724) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide
PubChem CID99696724
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide
SMILESO=C(NS(=O)(=O)c1cnccn1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C15H14FN3O3S/c16-12-4-2-11(3-5-12)15(6-1-7-15)14(20)19-23(21,22)13-10-17-8-9-18-13/h2-5,8-10H,1,6-7H2,(H,19,20)
InChIKeyJOJQKFSSUOQNKC-UHFFFAOYSA-N
XLogP1.54
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N'-pyrazin-2-ylcyclobutane-1-carbohydrazide
CID 91644069
1-(4-fluorophenyl)-N-piperidin-1-ylsulfonylcyclopentane-1-carboxamide
CID 75479820
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 110438262
N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439228
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
N-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119516222
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
1-(4-bromophenyl)-N-(3-fluoro-5-nitrophenyl)sulfonylcyclobutane-1-carboxamide
CID 112844255
1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide
CID 60580980

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide (CID 99696724) is 1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide is O=C(NS(=O)(=O)c1cnccn1)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide?
The InChIKey is JOJQKFSSUOQNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c16-12-4-2-11(3-5-12)15(6-1-7-15)14(20)19-23(21,22)13-10-17-8-9-18-13/h2-5,8-10H,1,6-7H2,(H,19,20).
What are the key properties of 1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclobutane-1-carboxamide is sourced from PubChem (CID 99696724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).