N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide

C11H18FN3O3S — CID 114127258

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide
SMILESCN(C)CCOCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H18FN3O3S/c1-15(2)7-9-18-8-6-14-19(16,17)11-10(12)4-3-5-13-11/h3-5,14H,6-9H2,1-2H3
InChIKeyLRZGBQINVJWLQX-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.08
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide (PubChem CID 114127258) has the molecular formula C11H18FN3O3S and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide
PubChem CID114127258
Molecular FormulaC11H18FN3O3S
Molecular Weight291.35 g/mol
Exact Mass291.11
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide
SMILESCN(C)CCOCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H18FN3O3S/c1-15(2)7-9-18-8-6-14-19(16,17)11-10(12)4-3-5-13-11/h3-5,14H,6-9H2,1-2H3
InChIKeyLRZGBQINVJWLQX-UHFFFAOYSA-N
XLogP0.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
N-[4-(dimethylamino)butan-2-yl]-3-fluoropyridine-2-sulfonamide
CID 103299907
3-fluoro-N',N'-dimethylpyridine-2-sulfonohydrazide
CID 103300356
N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175137
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 75455806
N-[4-(dimethylamino)butyl]-3-hydrazinylpyridine-2-sulfonamide
CID 103301345
3-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 103305551
N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide (CID 114127258) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide is CN(C)CCOCCNS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is LRZGBQINVJWLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O3S/c1-15(2)7-9-18-8-6-14-19(16,17)11-10(12)4-3-5-13-11/h3-5,14H,6-9H2,1-2H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide has a molecular weight of 291.35 g/mol, XLogP of 0.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 114127258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).