4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

C12H12FNO2S2 — CID 2811531

IUPAC4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO2S2/c1-9-6-7-17-12(9)8-14-18(15,16)11-4-2-10(13)3-5-11/h2-7,14H,8H2,1H3
InChIKeyINHBFXCOHCERSN-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.67
Rot. Bonds4

About 4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 2811531) has the molecular formula C12H12FNO2S2 and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID2811531
Molecular FormulaC12H12FNO2S2
Molecular Weight285.37 g/mol
Exact Mass285.03
IUPAC Name4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO2S2/c1-9-6-7-17-12(9)8-14-18(15,16)11-4-2-10(13)3-5-11/h2-7,14H,8H2,1H3
InChIKeyINHBFXCOHCERSN-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 2811531) is 4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccsc1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is INHBFXCOHCERSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2S2/c1-9-6-7-17-12(9)8-14-18(15,16)11-4-2-10(13)3-5-11/h2-7,14H,8H2,1H3.
What are the key properties of 4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2811531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).