2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide

C13H16N4O2S — CID 62846126

IUPAC2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccccc2CN)cn1
InChIInChI=1S/C13H16N4O2S/c1-10-7-16-12(8-15-10)9-17-20(18,19)13-5-3-2-4-11(13)6-14/h2-5,7-8,17H,6,9,14H2,1H3
InChIKeyMWWBOWOKVVWEJC-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.72
Rot. Bonds5

About 2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide

2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (PubChem CID 62846126) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
PubChem CID62846126
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccccc2CN)cn1
InChIInChI=1S/C13H16N4O2S/c1-10-7-16-12(8-15-10)9-17-20(18,19)13-5-3-2-4-11(13)6-14/h2-5,7-8,17H,6,9,14H2,1H3
InChIKeyMWWBOWOKVVWEJC-UHFFFAOYSA-N
XLogP0.72
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide 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

2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62847397
2-hydrazinyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-sulfonamide
CID 62848316
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62839999
4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 106997265
2-(aminomethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 16781445
2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline
CID 62846839
4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 65479645
3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 3829331
2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-sulfonamide
CID 62840002
2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406487
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104759943

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (CID 62846126) is 2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2ccccc2CN)cn1.
What is the InChIKey of 2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is MWWBOWOKVVWEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-10-7-16-12(8-15-10)9-17-20(18,19)13-5-3-2-4-11(13)6-14/h2-5,7-8,17H,6,9,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62846126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).