N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide

C15H18N4O3S — CID 4985724

IUPACN-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H18N4O3S/c1-3-11(2)19-23(21,22)13-6-4-12(5-7-13)18-15(20)14-10-16-8-9-17-14/h4-11,19H,3H2,1-2H3,(H,18,20)
InChIKeyORINGHYFOKHBDN-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.81
Rot. Bonds6

About N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide

N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide (PubChem CID 4985724) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide
PubChem CID4985724
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1
InChIInChI=1S/C15H18N4O3S/c1-3-11(2)19-23(21,22)13-6-4-12(5-7-13)18-15(20)14-10-16-8-9-17-14/h4-11,19H,3H2,1-2H3,(H,18,20)
InChIKeyORINGHYFOKHBDN-UHFFFAOYSA-N
XLogP1.81
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 4780813
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
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4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 47004794
N-[4-(cyclopentylsulfamoyl)phenyl]pyrazine-2-carboxamide
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1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
CID 40575887
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]butanamide
CID 51566560
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]pyrazine-2-carboxamide
CID 7116550

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide (CID 4985724) is N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide is CCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is ORINGHYFOKHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-3-11(2)19-23(21,22)13-6-4-12(5-7-13)18-15(20)14-10-16-8-9-17-14/h4-11,19H,3H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide?
N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4985724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).