N-(4-butylphenyl)-4-fluorobenzenesulfonamide

C16H18FNO2S — CID 2843133

IUPACN-(4-butylphenyl)-4-fluorobenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO2S/c1-2-3-4-13-5-9-15(10-6-13)18-21(19,20)16-11-7-14(17)8-12-16/h5-12,18H,2-4H2,1H3
InChIKeyCNGHPXKWPGIDSK-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.97
Rot. Bonds6

About N-(4-butylphenyl)-4-fluorobenzenesulfonamide

N-(4-butylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 2843133) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-fluorobenzenesulfonamide
PubChem CID2843133
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-(4-butylphenyl)-4-fluorobenzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO2S/c1-2-3-4-13-5-9-15(10-6-13)18-21(19,20)16-11-7-14(17)8-12-16/h5-12,18H,2-4H2,1H3
InChIKeyCNGHPXKWPGIDSK-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-butylphenyl)-4-fluorobenzenesulfonamide (CID 2843133) is N-(4-butylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-butylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-butylphenyl)-4-fluorobenzenesulfonamide is CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is CNGHPXKWPGIDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-2-3-4-13-5-9-15(10-6-13)18-21(19,20)16-11-7-14(17)8-12-16/h5-12,18H,2-4H2,1H3.
What are the key properties of N-(4-butylphenyl)-4-fluorobenzenesulfonamide?
N-(4-butylphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2843133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).