4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide

C17H20FNO4S2 — CID 133189853

IUPAC4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H20FNO4S2/c1-4-17(13-5-7-14(8-6-13)24(3,20)21)19-25(22,23)15-9-10-16(18)12(2)11-15/h5-11,17,19H,4H2,1-3H3
InChIKeyXALRYNXGCGNAJQ-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.97
Rot. Bonds6

About 4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide

4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide (PubChem CID 133189853) has the molecular formula C17H20FNO4S2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide
PubChem CID133189853
Molecular FormulaC17H20FNO4S2
Molecular Weight385.48 g/mol
Exact Mass385.08
IUPAC Name4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H20FNO4S2/c1-4-17(13-5-7-14(8-6-13)24(3,20)21)19-25(22,23)15-9-10-16(18)12(2)11-15/h5-11,17,19H,4H2,1-3H3
InChIKeyXALRYNXGCGNAJQ-UHFFFAOYSA-N
XLogP2.97
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide (CID 133189853) is 4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(F)c(C)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide?
The InChIKey is XALRYNXGCGNAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S2/c1-4-17(13-5-7-14(8-6-13)24(3,20)21)19-25(22,23)15-9-10-16(18)12(2)11-15/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide has a molecular weight of 385.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 133189853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).