2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide

C17H16FNO4S — CID 71802972

IUPAC2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
SMILESCOc1ccccc1OCC#CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H16FNO4S/c1-22-15-9-3-4-10-16(15)23-13-7-6-12-19-24(20,21)17-11-5-2-8-14(17)18/h2-5,8-11,19H,12-13H2,1H3
InChIKeyFHOYAVKUHOZWEC-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.19
Rot. Bonds6

About 2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide

2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide (PubChem CID 71802972) has the molecular formula C17H16FNO4S and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
PubChem CID71802972
Molecular FormulaC17H16FNO4S
Molecular Weight349.38 g/mol
Exact Mass349.08
IUPAC Name2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
SMILESCOc1ccccc1OCC#CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H16FNO4S/c1-22-15-9-3-4-10-16(15)23-13-7-6-12-19-24(20,21)17-11-5-2-8-14(17)18/h2-5,8-11,19H,12-13H2,1H3
InChIKeyFHOYAVKUHOZWEC-UHFFFAOYSA-N
XLogP2.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
2-methoxy-N-[4-(2-methylphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575454
2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579949
5-chloro-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methylbenzenesulfonamide
CID 90575738
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide
CID 90575710
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575717
N-[4-(2-methoxyphenoxy)but-2-ynyl]-5-methylthiophene-2-sulfonamide
CID 71802970
2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide
CID 90580636
5-fluoro-2-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)benzenesulfonamide
CID 90578313
N-[4-(2-methoxyphenoxy)but-2-ynyl]pyridine-3-sulfonamide
CID 71802961
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide
CID 90575722

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide (CID 71802972) is 2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide is COc1ccccc1OCC#CCNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide?
The InChIKey is FHOYAVKUHOZWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4S/c1-22-15-9-3-4-10-16(15)23-13-7-6-12-19-24(20,21)17-11-5-2-8-14(17)18/h2-5,8-11,19H,12-13H2,1H3.
What are the key properties of 2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide?
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide has a molecular weight of 349.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide is sourced from PubChem (CID 71802972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).