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

C13H14FNO2S2 — CID 18192010

IUPAC3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H14FNO2S2/c1-10-6-7-18-13(10)9-15(2)19(16,17)12-5-3-4-11(14)8-12/h3-8H,9H2,1-2H3
InChIKeyGCAUUDCERPCFBY-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.02
Rot. Bonds4

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

3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 18192010) has the molecular formula C13H14FNO2S2 and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID18192010
Molecular FormulaC13H14FNO2S2
Molecular Weight299.39 g/mol
Exact Mass299.04
IUPAC Name3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H14FNO2S2/c1-10-6-7-18-13(10)9-15(2)19(16,17)12-5-3-4-11(14)8-12/h3-8H,9H2,1-2H3
InChIKeyGCAUUDCERPCFBY-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 18192010) is 3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccsc1CN(C)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is GCAUUDCERPCFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S2/c1-10-6-7-18-13(10)9-15(2)19(16,17)12-5-3-4-11(14)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 18192010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).