N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide

C12H16N4O2S — CID 104709797

IUPACN-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide
SMILESCC(N)c1ccccc1NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H16N4O2S/c1-9(13)10-5-3-4-6-11(10)15-19(17,18)12-7-8-14-16(12)2/h3-9,15H,13H2,1-2H3
InChIKeyUBORIIFPXSPHCC-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.24
Rot. Bonds4

About N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide

N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104709797) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide
PubChem CID104709797
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide
SMILESCC(N)c1ccccc1NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H16N4O2S/c1-9(13)10-5-3-4-6-11(10)15-19(17,18)12-7-8-14-16(12)2/h3-9,15H,13H2,1-2H3
InChIKeyUBORIIFPXSPHCC-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104709386
N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709269
N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
CID 115643661
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62918927
2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid
CID 115641165
N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide
CID 43200301
N-[4-(1-hydroxyethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104710143
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrazole-3-sulfonamide
CID 104709410
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 107266789
N-[2-(aminomethyl)-6-methoxyphenyl]-2-methylpyrazole-3-sulfonamide
CID 107466320
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide (CID 104709797) is N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide is CC(N)c1ccccc1NS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is UBORIIFPXSPHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9(13)10-5-3-4-6-11(10)15-19(17,18)12-7-8-14-16(12)2/h3-9,15H,13H2,1-2H3.
What are the key properties of N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide?
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104709797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).