4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide

C15H16FNO3S — CID 102846903

IUPAC4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide
SMILESCOCCc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3S/c1-20-11-10-12-4-2-3-5-15(12)17-21(18,19)14-8-6-13(16)7-9-14/h2-9,17H,10-11H2,1H3
InChIKeyOXDSLRJEEFUHQJ-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.82
Rot. Bonds6

About 4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide

4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide (PubChem CID 102846903) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide
PubChem CID102846903
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide
SMILESCOCCc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3S/c1-20-11-10-12-4-2-3-5-15(12)17-21(18,19)14-8-6-13(16)7-9-14/h2-9,17H,10-11H2,1H3
InChIKeyOXDSLRJEEFUHQJ-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560
6-amino-N-[2-(2-methoxyethyl)phenyl]pyridine-3-sulfonamide
CID 102903283
1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102907633
2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 25331128
N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 102846902
1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102906168
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
4-butyl-N-(2-butylphenyl)benzenesulfonamide
CID 22774370
N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249722

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide (CID 102846903) is 4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide is COCCc1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide?
The InChIKey is OXDSLRJEEFUHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-20-11-10-12-4-2-3-5-15(12)17-21(18,19)14-8-6-13(16)7-9-14/h2-9,17H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide?
4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 102846903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).