5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide

C12H18N4O3S — CID 106218501

IUPAC5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(C)c2cn[nH]c2)o1
InChIInChI=1S/C12H18N4O3S/c1-3-13-8-11-4-5-12(19-11)20(17,18)16-9(2)10-6-14-15-7-10/h4-7,9,13,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyDNRQVZHUXWLQNZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.15
Rot. Bonds7

About 5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide

5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide (PubChem CID 106218501) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
PubChem CID106218501
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(C)c2cn[nH]c2)o1
InChIInChI=1S/C12H18N4O3S/c1-3-13-8-11-4-5-12(19-11)20(17,18)16-9(2)10-6-14-15-7-10/h4-7,9,13,16H,3,8H2,1-2H3,(H,14,15)
InChIKeyDNRQVZHUXWLQNZ-UHFFFAOYSA-N
XLogP1.15
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide 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

5-(hydroxymethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide
CID 106218370
5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
CID 79266874
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
5-(2-hydroxyethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106218355
1-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]propane-2-sulfonamide
CID 106218352
5-(ethylaminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-sulfonamide
CID 106162836
1-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106216702
5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide
CID 106028474
3-propanoyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854212
2-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217870
1,1,1-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]methanesulfonamide
CID 106217693
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide (CID 106218501) is 5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NC(C)c2cn[nH]c2)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide?
The InChIKey is DNRQVZHUXWLQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-3-13-8-11-4-5-12(19-11)20(17,18)16-9(2)10-6-14-15-7-10/h4-7,9,13,16H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide?
5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-sulfonamide is sourced from PubChem (CID 106218501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).