N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide

C12H16N4O3S — CID 107466320

IUPACN-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide
SMILESCOc1cccc(CN)c1NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H16N4O3S/c1-16-11(6-7-14-16)20(17,18)15-12-9(8-13)4-3-5-10(12)19-2/h3-7,15H,8,13H2,1-2H3
InChIKeyUTJAQMBAVHMBKJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.69
Rot. Bonds5

About N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide

N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 107466320) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide
PubChem CID107466320
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide
SMILESCOc1cccc(CN)c1NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H16N4O3S/c1-16-11(6-7-14-16)20(17,18)15-12-9(8-13)4-3-5-10(12)19-2/h3-7,15H,8,13H2,1-2H3
InChIKeyUTJAQMBAVHMBKJ-UHFFFAOYSA-N
XLogP0.69
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-6-methoxy-N-(methylsulfamoyl)aniline
CID 107466334
N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709269
N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide
CID 107466325
N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 104821297
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709797
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
N-(2-amino-4,6-dibromophenyl)-2-methylpyrazole-3-sulfonamide
CID 104709412
2-methoxy-6-[(2-methylpyrazol-3-yl)methyl]aniline
CID 105471285
N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
CID 104709354
N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
CID 115643661
N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 104709984
N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104710205

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide (CID 107466320) is N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide is COc1cccc(CN)c1NS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is UTJAQMBAVHMBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-16-11(6-7-14-16)20(17,18)15-12-9(8-13)4-3-5-10(12)19-2/h3-7,15H,8,13H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide?
N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 107466320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).