2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide

C13H14FNO3S2 — CID 90584014

IUPAC2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccccc1F)c1ccsc1
InChIInChI=1S/C13H14FNO3S2/c1-18-12(10-6-7-19-9-10)8-15-20(16,17)13-5-3-2-4-11(13)14/h2-7,9,12,15H,8H2,1H3
InChIKeyATJCDTVXFTUTSJ-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.55
Rot. Bonds6

About 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide

2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 90584014) has the molecular formula C13H14FNO3S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID90584014
Molecular FormulaC13H14FNO3S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC Name2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccccc1F)c1ccsc1
InChIInChI=1S/C13H14FNO3S2/c1-18-12(10-6-7-19-9-10)8-15-20(16,17)13-5-3-2-4-11(13)14/h2-7,9,12,15H,8H2,1H3
InChIKeyATJCDTVXFTUTSJ-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 97427133
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
CID 16932724
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 90584008
4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472
2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168532
4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584060
N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
CID 90584057
2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 90598088
2,4-dichloro-N-(2-methoxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 90584085
3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584031
methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate
CID 71804782

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide (CID 90584014) is 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide is COC(CNS(=O)(=O)c1ccccc1F)c1ccsc1.
What is the InChIKey of 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is ATJCDTVXFTUTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S2/c1-18-12(10-6-7-19-9-10)8-15-20(16,17)13-5-3-2-4-11(13)14/h2-7,9,12,15H,8H2,1H3.
What are the key properties of 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide?
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90584014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).