4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide

C15H16FNO3S — CID 53277912

IUPAC4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCC(C)Oc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3S/c1-11(2)20-15-6-4-3-5-14(15)17-21(18,19)13-9-7-12(16)8-10-13/h3-11,17H,1-2H3
InChIKeyWVZHYCQBZXEFGV-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.41
Rot. Bonds5

About 4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide

4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide (PubChem CID 53277912) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
PubChem CID53277912
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
SMILESCC(C)Oc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3S/c1-11(2)20-15-6-4-3-5-14(15)17-21(18,19)13-9-7-12(16)8-10-13/h3-11,17H,1-2H3
InChIKeyWVZHYCQBZXEFGV-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956
4-hexyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 84552349
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 62998202
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
2-methyl-N-(2-propan-2-yloxyphenyl)-1,3-benzoxazole-6-sulfonamide
CID 110759877
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
5-methyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61274811
2-cyano-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 110756477

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide (CID 53277912) is 4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide is CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
The InChIKey is WVZHYCQBZXEFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-11(2)20-15-6-4-3-5-14(15)17-21(18,19)13-9-7-12(16)8-10-13/h3-11,17H,1-2H3.
What are the key properties of 4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide?
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 53277912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).