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

C13H18N4O2S — CID 104710205

IUPACN-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide
SMILESCCNCc1cccc(NS(=O)(=O)c2ccnn2C)c1
InChIInChI=1S/C13H18N4O2S/c1-3-14-10-11-5-4-6-12(9-11)16-20(18,19)13-7-8-15-17(13)2/h4-9,14,16H,3,10H2,1-2H3
InChIKeyIBEHEZSDDAIZQD-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.33
Rot. Bonds6

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

N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide (PubChem CID 104710205) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide
PubChem CID104710205
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide
SMILESCCNCc1cccc(NS(=O)(=O)c2ccnn2C)c1
InChIInChI=1S/C13H18N4O2S/c1-3-14-10-11-5-4-6-12(9-11)16-20(18,19)13-7-8-15-17(13)2/h4-9,14,16H,3,10H2,1-2H3
InChIKeyIBEHEZSDDAIZQD-UHFFFAOYSA-N
XLogP1.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide
CID 43606250
N-[3-(ethylaminomethyl)phenyl]-4-methylbenzenesulfonamide
CID 43606244
3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
CID 114810494
5-bromo-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 79998136
5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100364
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-(3-ethoxy-4-nitrophenyl)-2-methylpyrazole-3-sulfonamide
CID 126833420
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922
N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
CID 115643661
N-(3-bromo-4-ethynylphenyl)-2-methylpyrazole-3-sulfonamide
CID 167962384
N-[3-(ethylaminomethyl)phenyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 119438590
N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 104821297

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide (CID 104710205) is N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide is CCNCc1cccc(NS(=O)(=O)c2ccnn2C)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide?
The InChIKey is IBEHEZSDDAIZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-14-10-11-5-4-6-12(9-11)16-20(18,19)13-7-8-15-17(13)2/h4-9,14,16H,3,10H2,1-2H3.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide?
N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104710205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).