1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide

C13H14FNO2S2 — CID 35609735

IUPAC1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide
SMILESCc1ccsc1CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H14FNO2S2/c1-10-6-7-18-13(10)8-15-19(16,17)9-11-2-4-12(14)5-3-11/h2-7,15H,8-9H2,1H3
InChIKeyPAPDOFGTMWYBNV-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.82
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide (PubChem CID 35609735) has the molecular formula C13H14FNO2S2 and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide
PubChem CID35609735
Molecular FormulaC13H14FNO2S2
Molecular Weight299.39 g/mol
Exact Mass299.04
IUPAC Name1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide
SMILESCc1ccsc1CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H14FNO2S2/c1-10-6-7-18-13(10)8-15-19(16,17)9-11-2-4-12(14)5-3-11/h2-7,15H,8-9H2,1H3
InChIKeyPAPDOFGTMWYBNV-UHFFFAOYSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide (CID 35609735) is 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide is Cc1ccsc1CNS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide?
The InChIKey is PAPDOFGTMWYBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S2/c1-10-6-7-18-13(10)8-15-19(16,17)9-11-2-4-12(14)5-3-11/h2-7,15H,8-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 35609735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).