N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide

C13H14FN3O3S — CID 103298449

IUPACN-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide
SMILESNCCOc1ccc(NS(=O)(=O)c2ncccc2F)cc1
InChIInChI=1S/C13H14FN3O3S/c14-12-2-1-8-16-13(12)21(18,19)17-10-3-5-11(6-4-10)20-9-7-15/h1-6,8,17H,7,9,15H2
InChIKeyBDMBPKSNKRPZQJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.36
Rot. Bonds6

About N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide

N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide (PubChem CID 103298449) has the molecular formula C13H14FN3O3S and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide
PubChem CID103298449
Molecular FormulaC13H14FN3O3S
Molecular Weight311.34 g/mol
Exact Mass311.07
IUPAC NameN-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide
SMILESNCCOc1ccc(NS(=O)(=O)c2ncccc2F)cc1
InChIInChI=1S/C13H14FN3O3S/c14-12-2-1-8-16-13(12)21(18,19)17-10-3-5-11(6-4-10)20-9-7-15/h1-6,8,17H,7,9,15H2
InChIKeyBDMBPKSNKRPZQJ-UHFFFAOYSA-N
XLogP1.36
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzamide
CID 103299122
4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide
CID 103300634
N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide
CID 103298978
3-fluoro-N-naphthalen-2-ylpyridine-2-sulfonamide
CID 103299396
N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-2-sulfonamide
CID 103299543
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide
CID 43369627
N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299092
N-(4-ethoxy-2-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299321
N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide
CID 62375102

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide (CID 103298449) is N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide is NCCOc1ccc(NS(=O)(=O)c2ncccc2F)cc1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is BDMBPKSNKRPZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3S/c14-12-2-1-8-16-13(12)21(18,19)17-10-3-5-11(6-4-10)20-9-7-15/h1-6,8,17H,7,9,15H2.
What are the key properties of N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide?
N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide has a molecular weight of 311.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103298449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).