N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide

C15H14FNO3S — CID 141457904

IUPACN-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C15H14FNO3S/c1-2-11-20-12-7-9-13(10-8-12)21(18,19)17-15-6-4-3-5-14(15)16/h2-10,17H,1,11H2
InChIKeyBZUVXEYARUEAAH-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.19
Rot. Bonds6

About N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide

N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide (PubChem CID 141457904) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide
PubChem CID141457904
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC NameN-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C15H14FNO3S/c1-2-11-20-12-7-9-13(10-8-12)21(18,19)17-15-6-4-3-5-14(15)16/h2-10,17H,1,11H2
InChIKeyBZUVXEYARUEAAH-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168514445
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756
4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 30396497
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 26846171
4-methylsulfonyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 94664257
N-[2-(aminomethyl)-3-fluorophenyl]-4-methoxybenzenesulfonamide
CID 43580855

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide (CID 141457904) is N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide is C=CCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide?
The InChIKey is BZUVXEYARUEAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-2-11-20-12-7-9-13(10-8-12)21(18,19)17-15-6-4-3-5-14(15)16/h2-10,17H,1,11H2.
What are the key properties of N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide?
N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide has a molecular weight of 307.35 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-prop-2-enoxybenzenesulfonamide is sourced from PubChem (CID 141457904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).