4-fluoro-N,N-dihexylbenzenesulfonamide

C18H30FNO2S — CID 3650162

IUPAC4-fluoro-N,N-dihexylbenzenesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H30FNO2S/c1-3-5-7-9-15-20(16-10-8-6-4-2)23(21,22)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3
InChIKeyYLVZPVNFGYKJCB-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.98
Rot. Bonds12

About 4-fluoro-N,N-dihexylbenzenesulfonamide

4-fluoro-N,N-dihexylbenzenesulfonamide (PubChem CID 3650162) has the molecular formula C18H30FNO2S and a molecular weight of 343.51 g/mol. Its IUPAC name is 4-fluoro-N,N-dihexylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,N-dihexylbenzenesulfonamide
PubChem CID3650162
Molecular FormulaC18H30FNO2S
Molecular Weight343.51 g/mol
Exact Mass343.20
IUPAC Name4-fluoro-N,N-dihexylbenzenesulfonamide
SMILESCCCCCCN(CCCCCC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H30FNO2S/c1-3-5-7-9-15-20(16-10-8-6-4-2)23(21,22)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3
InChIKeyYLVZPVNFGYKJCB-UHFFFAOYSA-N
XLogP4.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
4-N-[(4-fluorophenyl)methyl]-1-N-methyl-4-N-pentylbenzene-1,4-disulfonamide
CID 25472305
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102992728
N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide
CID 171730221
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentyl-N-propan-2-ylacetamide
CID 55602011
4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791222
N,N'-bis(4-fluorophenyl)-N,N'-dihexylmethanedisulfonamide
CID 90121629
2-[(4-fluorophenyl)sulfonyl-propylamino]-N'-hydroxyethanimidamide
CID 76927441
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide
CID 54451158

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dihexylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N,N-dihexylbenzenesulfonamide (CID 3650162) is 4-fluoro-N,N-dihexylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,N-dihexylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N,N-dihexylbenzenesulfonamide is CCCCCCN(CCCCCC)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N,N-dihexylbenzenesulfonamide?
The InChIKey is YLVZPVNFGYKJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO2S/c1-3-5-7-9-15-20(16-10-8-6-4-2)23(21,22)18-13-11-17(19)12-14-18/h11-14H,3-10,15-16H2,1-2H3.
What are the key properties of 4-fluoro-N,N-dihexylbenzenesulfonamide?
4-fluoro-N,N-dihexylbenzenesulfonamide has a molecular weight of 343.51 g/mol, XLogP of 4.98, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dihexylbenzenesulfonamide is sourced from PubChem (CID 3650162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).