N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide

C13H14FNO3S2 — CID 110782022

IUPACN-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2cccs2)cc1F
InChIInChI=1S/C13H14FNO3S2/c1-2-18-12-6-5-10(8-11(12)14)9-15-20(16,17)13-4-3-7-19-13/h3-8,15H,2,9H2,1H3
InChIKeyVZYUGXPAPGHTKI-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.76
Rot. Bonds6

About N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide

N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 110782022) has the molecular formula C13H14FNO3S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID110782022
Molecular FormulaC13H14FNO3S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC NameN-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2cccs2)cc1F
InChIInChI=1S/C13H14FNO3S2/c1-2-18-12-6-5-10(8-11(12)14)9-15-20(16,17)13-4-3-7-19-13/h3-8,15H,2,9H2,1H3
InChIKeyVZYUGXPAPGHTKI-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780125
N-[2-methoxy-5-[(thiophen-2-ylsulfonylamino)methyl]phenyl]acetamide
CID 110783971
N-[(4-ethoxy-3-fluorophenyl)methyl]-2-phenylethanesulfonamide
CID 110782030
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110782026
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 86984257
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 3271736
4-ethoxy-3-fluoro-N-[(1-thiophen-2-yltriazol-4-yl)methyl]benzenesulfonamide
CID 122245732
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 110782022) is N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide is CCOc1ccc(CNS(=O)(=O)c2cccs2)cc1F.
What is the InChIKey of N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is VZYUGXPAPGHTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S2/c1-2-18-12-6-5-10(8-11(12)14)9-15-20(16,17)13-4-3-7-19-13/h3-8,15H,2,9H2,1H3.
What are the key properties of N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide?
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110782022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).