5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide

C12H14N2O3S2 — CID 103287806

IUPAC5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1OCc1cccs1
InChIInChI=1S/C12H14N2O3S2/c1-14-19(15,16)12-7-9(13)4-5-11(12)17-8-10-3-2-6-18-10/h2-7,14H,8,13H2,1H3
InChIKeyMAIHJYCVMOMLAK-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.82
Rot. Bonds5

About 5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide

5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide (PubChem CID 103287806) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide
PubChem CID103287806
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1OCc1cccs1
InChIInChI=1S/C12H14N2O3S2/c1-14-19(15,16)12-7-9(13)4-5-11(12)17-8-10-3-2-6-18-10/h2-7,14H,8,13H2,1H3
InChIKeyMAIHJYCVMOMLAK-UHFFFAOYSA-N
XLogP1.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-ethoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43662942
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
3-(difluoromethyl)-4-(thiophen-2-ylmethoxy)aniline
CID 63734131
5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 103287799
5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
CID 103287793
5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 103287848
5-amino-N-methyl-2-(1-thiophen-2-ylpropylamino)benzenesulfonamide
CID 103286878
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844249
5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291710
5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide
CID 103287820
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974346

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide (CID 103287806) is 5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1OCc1cccs1.
What is the InChIKey of 5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide?
The InChIKey is MAIHJYCVMOMLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c1-14-19(15,16)12-7-9(13)4-5-11(12)17-8-10-3-2-6-18-10/h2-7,14H,8,13H2,1H3.
What are the key properties of 5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide?
5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide is sourced from PubChem (CID 103287806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).