5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide

C13H15FN2O3S2 — CID 106071815

IUPAC5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide
SMILESCOc1ccc(F)c(NS(=O)(=O)c2cc(C)c(CN)s2)c1
InChIInChI=1S/C13H15FN2O3S2/c1-8-5-13(20-12(8)7-15)21(17,18)16-11-6-9(19-2)3-4-10(11)14/h3-6,16H,7,15H2,1-2H3
InChIKeyKYLVUIAIGNXWPK-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.46
Rot. Bonds5

About 5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 106071815) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide
PubChem CID106071815
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC Name5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide
SMILESCOc1ccc(F)c(NS(=O)(=O)c2cc(C)c(CN)s2)c1
InChIInChI=1S/C13H15FN2O3S2/c1-8-5-13(20-12(8)7-15)21(17,18)16-11-6-9(19-2)3-4-10(11)14/h3-6,16H,7,15H2,1-2H3
InChIKeyKYLVUIAIGNXWPK-UHFFFAOYSA-N
XLogP2.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-4-methyl-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057731
5-(aminomethyl)-N-(2-chloro-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 106074625
N-(2-fluoro-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071824
5-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106076647
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082868
5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
CID 106061445
2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline
CID 164657275
N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099479
5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 106059520
5-(aminomethyl)-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054086
2-(aminomethyl)-N-(4-methoxy-2-methylphenyl)thiophene-3-sulfonamide
CID 106056025
5-(aminomethyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088719

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide (CID 106071815) is 5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide is COc1ccc(F)c(NS(=O)(=O)c2cc(C)c(CN)s2)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is KYLVUIAIGNXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-8-5-13(20-12(8)7-15)21(17,18)16-11-6-9(19-2)3-4-10(11)14/h3-6,16H,7,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106071815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).