N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide

C12H16N4O3S — CID 104709269

IUPACN-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1ccccc1OCCN
InChIInChI=1S/C12H16N4O3S/c1-16-12(6-8-14-16)20(17,18)15-10-4-2-3-5-11(10)19-9-7-13/h2-6,8,15H,7,9,13H2,1H3
InChIKeySLPVBMVZCJTCJJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.56
Rot. Bonds6

About N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide

N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104709269) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
PubChem CID104709269
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1ccccc1OCCN
InChIInChI=1S/C12H16N4O3S/c1-16-12(6-8-14-16)20(17,18)15-10-4-2-3-5-11(10)19-9-7-13/h2-6,8,15H,7,9,13H2,1H3
InChIKeySLPVBMVZCJTCJJ-UHFFFAOYSA-N
XLogP0.56
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-aminoethoxy)phenyl]propane-1-sulfonamide
CID 43175615
N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide
CID 107466320
N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
CID 115643661
2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
CID 114813800
N-[2-(2-aminoethoxy)phenyl]-2-ethoxyethanesulfonamide
CID 63245490
N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369684
2-(2-aminoethoxy)-N-(cyclopropylsulfamoyl)aniline
CID 114803489
N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
CID 104709354
N-[2-(2-aminoethoxy)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 43175580
2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid
CID 115641165
N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 104821297
N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299090

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide (CID 104709269) is N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)Nc1ccccc1OCCN.
What is the InChIKey of N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is SLPVBMVZCJTCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-16-12(6-8-14-16)20(17,18)15-10-4-2-3-5-11(10)19-9-7-13/h2-6,8,15H,7,9,13H2,1H3.
What are the key properties of N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide?
N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).