3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide

C17H22N4O4S — CID 97281167

IUPAC3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cccc(C(=O)NCc2cnc(C)cn2)c1
InChIInChI=1S/C17H22N4O4S/c1-3-14(11-22)21-26(24,25)16-6-4-5-13(7-16)17(23)20-10-15-9-18-12(2)8-19-15/h4-9,14,21-22H,3,10-11H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyHTFGRRJNVKIEIF-CQSZACIVSA-N
MW378.45 g/mol
LogP0.76
Rot. Bonds8

About 3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide

3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide (PubChem CID 97281167) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
PubChem CID97281167
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cccc(C(=O)NCc2cnc(C)cn2)c1
InChIInChI=1S/C17H22N4O4S/c1-3-14(11-22)21-26(24,25)16-6-4-5-13(7-16)17(23)20-10-15-9-18-12(2)8-19-15/h4-9,14,21-22H,3,10-11H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyHTFGRRJNVKIEIF-CQSZACIVSA-N
XLogP0.76
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 23530641
3-(cyclopentylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041602
3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041364
N-[(5-methylpyrazin-2-yl)methyl]-1H-indole-6-carboxamide
CID 63770378
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
3,5-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114023576
3-(benzylsulfamoyl)-N-(1-hydroxybutan-2-yl)benzamide
CID 4227371
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 50950516
3-acetyl-N-hexan-3-ylbenzenesulfonamide
CID 55031108
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The IUPAC name of 3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide (CID 97281167) is 3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The canonical SMILES for 3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide is CC[C@H](CO)NS(=O)(=O)c1cccc(C(=O)NCc2cnc(C)cn2)c1.
What is the InChIKey of 3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
The InChIKey is HTFGRRJNVKIEIF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-3-14(11-22)21-26(24,25)16-6-4-5-13(7-16)17(23)20-10-15-9-18-12(2)8-19-15/h4-9,14,21-22H,3,10-11H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide?
3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide is sourced from PubChem (CID 97281167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).