3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide

C16H15FN2O3S — CID 171134204

IUPAC3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C#N
InChIInChI=1S/C16H15FN2O3S/c1-2-9-22-16-8-7-15(10-12(16)11-18)23(20,21)19-14-5-3-13(17)4-6-14/h3-8,10,19H,2,9H2,1H3
InChIKeyPPCAOQMBDOBUIF-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.29
Rot. Bonds6

About 3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide

3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide (PubChem CID 171134204) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide
PubChem CID171134204
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C#N
InChIInChI=1S/C16H15FN2O3S/c1-2-9-22-16-8-7-15(10-12(16)11-18)23(20,21)19-14-5-3-13(17)4-6-14/h3-8,10,19H,2,9H2,1H3
InChIKeyPPCAOQMBDOBUIF-UHFFFAOYSA-N
XLogP3.29
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N,N-diethyl-4-propoxybenzenesulfonamide
CID 171138583
3-cyano-4-ethoxy-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 171134139
N-(3,4-dipropoxyphenyl)-3-fluorobenzenesulfonamide
CID 26949915
3-cyano-4-ethoxy-N-propylbenzenesulfonamide
CID 171134169
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
5-fluoro-2-(2-propoxyethoxy)benzonitrile
CID 63684547
1-N,3-N-bis(4-fluoro-3-propoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157115
1-N,3-N-bis(3-fluoro-5-propoxyphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 141157276
3-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-propoxybenzamide
CID 4850610
3-cyano-4-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 171134172
3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 171134272
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide?
The IUPAC name of 3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide (CID 171134204) is 3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide?
The canonical SMILES for 3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C#N.
What is the InChIKey of 3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide?
The InChIKey is PPCAOQMBDOBUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-2-9-22-16-8-7-15(10-12(16)11-18)23(20,21)19-14-5-3-13(17)4-6-14/h3-8,10,19H,2,9H2,1H3.
What are the key properties of 3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide?
3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide has a molecular weight of 334.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-fluorophenyl)-4-propoxybenzenesulfonamide is sourced from PubChem (CID 171134204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).