N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide

C13H14FNO3S2 — CID 86984257

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C)s2)cc1F
InChIInChI=1S/C13H14FNO3S2/c1-9-3-6-13(19-9)20(16,17)15-8-10-4-5-12(18-2)11(14)7-10/h3-7,15H,8H2,1-2H3
InChIKeyCXLOVSJAFWWQAK-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.68
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 86984257) has the molecular formula C13H14FNO3S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
PubChem CID86984257
Molecular FormulaC13H14FNO3S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C)s2)cc1F
InChIInChI=1S/C13H14FNO3S2/c1-9-3-6-13(19-9)20(16,17)15-8-10-4-5-12(18-2)11(14)7-10/h3-7,15H,8H2,1-2H3
InChIKeyCXLOVSJAFWWQAK-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 86870469
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 62500636
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110780040
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
N-[[3-(bromomethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 113271866
N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 87032979
N-[(4-ethoxy-3-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 110782022
5-bromo-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 3745501
N-[(3,4-difluorophenyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106052050
N-[(4-aminophenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 43604563
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112994036

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide (CID 86984257) is N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(C)s2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is CXLOVSJAFWWQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S2/c1-9-3-6-13(19-9)20(16,17)15-8-10-4-5-12(18-2)11(14)7-10/h3-7,15H,8H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 2.68, 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-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 86984257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).