5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide

C13H20N4O3S — CID 106106529

IUPAC5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCc2ccn(C)n2)o1
InChIInChI=1S/C13H20N4O3S/c1-3-14-10-12-4-5-13(20-12)21(18,19)15-8-6-11-7-9-17(2)16-11/h4-5,7,9,14-15H,3,6,8,10H2,1-2H3
InChIKeyJLZMICJOZGLNNG-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.64
Rot. Bonds8

About 5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide

5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide (PubChem CID 106106529) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
PubChem CID106106529
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCc2ccn(C)n2)o1
InChIInChI=1S/C13H20N4O3S/c1-3-14-10-12-4-5-13(20-12)21(18,19)15-8-6-11-7-9-17(2)16-11/h4-5,7,9,14-15H,3,6,8,10H2,1-2H3
InChIKeyJLZMICJOZGLNNG-UHFFFAOYSA-N
XLogP0.64
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 104626918
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]furan-2-sulfonamide
CID 106410018
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104627021
2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103895
5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
5-(aminomethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]furan-2-sulfonamide
CID 80686088
2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
CID 106106320
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
2-bromo-5-(hydroxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106106594
5-(ethylaminomethyl)-N-(3-methylpentan-3-yl)furan-2-sulfonamide
CID 106331722

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide (CID 106106529) is 5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCCc2ccn(C)n2)o1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide?
The InChIKey is JLZMICJOZGLNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-3-14-10-12-4-5-13(20-12)21(18,19)15-8-6-11-7-9-17(2)16-11/h4-5,7,9,14-15H,3,6,8,10H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide?
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide is sourced from PubChem (CID 106106529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).