N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide

C17H20FNO2S — CID 22203173

IUPACN-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO2S/c1-13(2)11-14-7-9-16(10-8-14)22(20,21)19-12-15-5-3-4-6-17(15)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyJTILISBSBWANKX-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.50
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide

N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 22203173) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID22203173
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C17H20FNO2S/c1-13(2)11-14-7-9-16(10-8-14)22(20,21)19-12-15-5-3-4-6-17(15)18/h3-10,13,19H,11-12H2,1-2H3
InChIKeyJTILISBSBWANKX-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28715737
1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 1455204
4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 34050741
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 20963939
N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688302
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 19680647
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22771286
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
CID 22774577

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide (CID 22203173) is N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is JTILISBSBWANKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-13(2)11-14-7-9-16(10-8-14)22(20,21)19-12-15-5-3-4-6-17(15)18/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 22203173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).