N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide

C13H14FNO3S2 — CID 110777493

IUPACN-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)c2cccs2)cc1F
InChIInChI=1S/C13H14FNO3S2/c1-9(2)18-12-6-5-10(8-11(12)14)15-20(16,17)13-4-3-7-19-13/h3-9,15H,1-2H3
InChIKeyCTXBYCYDCWCWKE-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.48
Rot. Bonds5

About N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide

N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide (PubChem CID 110777493) has the molecular formula C13H14FNO3S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
PubChem CID110777493
Molecular FormulaC13H14FNO3S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC NameN-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)c2cccs2)cc1F
InChIInChI=1S/C13H14FNO3S2/c1-9(2)18-12-6-5-10(8-11(12)14)15-20(16,17)13-4-3-7-19-13/h3-9,15H,1-2H3
InChIKeyCTXBYCYDCWCWKE-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide
CID 110777486
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758244
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide
CID 8519544
N-(3-fluoro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777500
N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
CID 8501150
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019944
N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
CID 27301138
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2474123

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide (CID 110777493) is N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide is CC(C)Oc1ccc(NS(=O)(=O)c2cccs2)cc1F.
What is the InChIKey of N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide?
The InChIKey is CTXBYCYDCWCWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S2/c1-9(2)18-12-6-5-10(8-11(12)14)15-20(16,17)13-4-3-7-19-13/h3-9,15H,1-2H3.
What are the key properties of N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide?
N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 110777493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).