N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide

C17H21FN2O2S — CID 110362944

IUPACN-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C17H21FN2O2S/c1-2-3-12-23(21,22)20-13-16(17-6-4-5-11-19-17)14-7-9-15(18)10-8-14/h4-11,16,20H,2-3,12-13H2,1H3
InChIKeyIZODSZNRTZJPNF-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.07
Rot. Bonds8

About N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide

N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide (PubChem CID 110362944) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide
PubChem CID110362944
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC NameN-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C17H21FN2O2S/c1-2-3-12-23(21,22)20-13-16(17-6-4-5-11-19-17)14-7-9-15(18)10-8-14/h4-11,16,20H,2-3,12-13H2,1H3
InChIKeyIZODSZNRTZJPNF-UHFFFAOYSA-N
XLogP3.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide
CID 110362891
N-[2-(2-methylphenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide
CID 110362932
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110362945
N-(2-phenyl-2-pyridin-2-ylethyl)methanesulfonamide
CID 16929296
3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea
CID 110362940
N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]pentanamide
CID 16927840
2-(4-fluorophenyl)-2-pyridin-2-ylethanamine
CID 82040232
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]furan-2-carboxamide
CID 16928028
N-[2,2-bis(furan-2-yl)ethyl]butane-1-sulfonamide
CID 131702580
N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
CID 78980226
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
CID 44649356

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide (CID 110362944) is N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide?
The InChIKey is IZODSZNRTZJPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-2-3-12-23(21,22)20-13-16(17-6-4-5-11-19-17)14-7-9-15(18)10-8-14/h4-11,16,20H,2-3,12-13H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide?
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide has a molecular weight of 336.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]butane-1-sulfonamide is sourced from PubChem (CID 110362944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).