5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide

C14H23ClN2O3S — CID 79308831

IUPAC5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1cc(CCl)oc1C
InChIInChI=1S/C14H23ClN2O3S/c1-4-17-7-5-6-12(17)10-16(3)21(18,19)14-8-13(9-15)20-11(14)2/h8,12H,4-7,9-10H2,1-3H3
InChIKeySJXRZLZFJWYXMG-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.43
Rot. Bonds6

About 5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide

5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide (PubChem CID 79308831) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide
PubChem CID79308831
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)c1cc(CCl)oc1C
InChIInChI=1S/C14H23ClN2O3S/c1-4-17-7-5-6-12(17)10-16(3)21(18,19)14-8-13(9-15)20-11(14)2/h8,12H,4-7,9-10H2,1-3H3
InChIKeySJXRZLZFJWYXMG-UHFFFAOYSA-N
XLogP2.43
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-3-sulfonamide
CID 79308837
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
3-amino-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79303674
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79311862
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79308982
1-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonyl-2-ethylazepane
CID 104692858
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 79303073
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-(methylamino)pyridine-3-sulfonamide
CID 79310769
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 99818002
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 79315278
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 79318720
3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79308845

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide?
The IUPAC name of 5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide (CID 79308831) is 5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide.
What is the SMILES notation for 5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide?
The canonical SMILES for 5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide is CCN1CCCC1CN(C)S(=O)(=O)c1cc(CCl)oc1C.
What is the InChIKey of 5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide?
The InChIKey is SJXRZLZFJWYXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-4-17-7-5-6-12(17)10-16(3)21(18,19)14-8-13(9-15)20-11(14)2/h8,12H,4-7,9-10H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide?
5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide has a molecular weight of 334.87 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylfuran-3-sulfonamide is sourced from PubChem (CID 79308831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).