5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid

C16H20N4O4S — CID 122049013

IUPAC5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(CNc2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H20N4O4S/c1-11(2)7-20-25(23,24)13-5-3-12(4-6-13)8-18-15-10-17-14(9-19-15)16(21)22/h3-6,9-11,20H,7-8H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyMLFZDRODMJXSEI-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.72
Rot. Bonds8

About 5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid

5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 122049013) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid
PubChem CID122049013
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(CNc2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C16H20N4O4S/c1-11(2)7-20-25(23,24)13-5-3-12(4-6-13)8-18-15-10-17-14(9-19-15)16(21)22/h3-6,9-11,20H,7-8H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyMLFZDRODMJXSEI-UHFFFAOYSA-N
XLogP1.72
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 75522952
5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272750
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 895367
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
5-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]pyrazine-2-carboxylic acid
CID 122047818
5-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyrazine-2-carboxylic acid
CID 122053304
2-[4-(2-methylpropylsulfamoyl)phenoxy]-N-(pyridin-4-ylmethyl)acetamide
CID 11837026
[4-(2-methylpropylsulfamoyl)phenyl]boronic acid
CID 91666739
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914207
5-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]pyrazine-2-carboxylic acid
CID 122057704

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid (CID 122049013) is 5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid is CC(C)CNS(=O)(=O)c1ccc(CNc2cnc(C(=O)O)cn2)cc1.
What is the InChIKey of 5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is MLFZDRODMJXSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-11(2)7-20-25(23,24)13-5-3-12(4-6-13)8-18-15-10-17-14(9-19-15)16(21)22/h3-6,9-11,20H,7-8H2,1-2H3,(H,18,19)(H,21,22).
What are the key properties of 5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid?
5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 364.43 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methylpropylsulfamoyl)phenyl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122049013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).