N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide

C15H15F2NO2S — CID 8500875

IUPACN-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C15H15F2NO2S/c1-2-4-11-7-9-12(10-8-11)21(19,20)18-15-13(16)5-3-6-14(15)17/h3,5-10,18H,2,4H2,1H3
InChIKeyGYYSBKZWKJYEIW-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.72
Rot. Bonds5

About N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide

N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide (PubChem CID 8500875) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
PubChem CID8500875
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC NameN-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C15H15F2NO2S/c1-2-4-11-7-9-12(10-8-11)21(19,20)18-15-13(16)5-3-6-14(15)17/h3,5-10,18H,2,4H2,1H3
InChIKeyGYYSBKZWKJYEIW-UHFFFAOYSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromoethyl)-N-(2,6-difluorophenyl)benzenesulfonamide
CID 110316664
4-[(2S)-butan-2-yl]-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500871
N-(2-amino-6-chlorophenyl)-4-propylbenzenesulfonamide
CID 62083735
N-(2,6-difluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110428842
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
N-(2-bromo-6-fluorophenyl)-4-(ethylamino)benzenesulfonamide
CID 107603188
N-(2,6-difluorophenyl)ethanesulfonamide
CID 60642898
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide (CID 8500875) is N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide?
The InChIKey is GYYSBKZWKJYEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c1-2-4-11-7-9-12(10-8-11)21(19,20)18-15-13(16)5-3-6-14(15)17/h3,5-10,18H,2,4H2,1H3.
What are the key properties of N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide?
N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide has a molecular weight of 311.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 8500875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).