N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide

C15H22N4O3S — CID 71929026

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)N2CCCC2c2ccco2)cn1
InChIInChI=1S/C15H22N4O3S/c1-3-18-12-13(10-16-18)11-17(2)23(20,21)19-8-4-6-14(19)15-7-5-9-22-15/h5,7,9-10,12,14H,3-4,6,8,11H2,1-2H3
InChIKeyGAJVVCLIAMPYEJ-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.01
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide

N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 71929026) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID71929026
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)N2CCCC2c2ccco2)cn1
InChIInChI=1S/C15H22N4O3S/c1-3-18-12-13(10-16-18)11-17(2)23(20,21)19-8-4-6-14(19)15-7-5-9-22-15/h5,7,9-10,12,14H,3-4,6,8,11H2,1-2H3
InChIKeyGAJVVCLIAMPYEJ-UHFFFAOYSA-N
XLogP2.01
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide (CID 71929026) is N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide is CCn1cc(CN(C)S(=O)(=O)N2CCCC2c2ccco2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is GAJVVCLIAMPYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-3-18-12-13(10-16-18)11-17(2)23(20,21)19-8-4-6-14(19)15-7-5-9-22-15/h5,7,9-10,12,14H,3-4,6,8,11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-(furan-2-yl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 71929026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).