3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide

C12H14N2O2S2 — CID 28614899

IUPAC3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
SMILESCc1ccc(CNc2cccc(S(N)(=O)=O)c2)s1
InChIInChI=1S/C12H14N2O2S2/c1-9-5-6-11(17-9)8-14-10-3-2-4-12(7-10)18(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
InChIKeyIWEBQMKKEYYLBO-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.32
Rot. Bonds4

About 3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide

3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide (PubChem CID 28614899) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
PubChem CID28614899
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
SMILESCc1ccc(CNc2cccc(S(N)(=O)=O)c2)s1
InChIInChI=1S/C12H14N2O2S2/c1-9-5-6-11(17-9)8-14-10-3-2-4-12(7-10)18(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)
InChIKeyIWEBQMKKEYYLBO-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(5-methylthiophen-2-yl)methylamino]methyl]benzenesulfonamide
CID 54927107
N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 28731496
3-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 62055705
3-bromo-4-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43745616
3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide
CID 28541147
N-[dimethyl(oxo)-λ6-sulfanylidene]-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 167755284
3-[(4-methylsulfonylphenyl)methylamino]benzenesulfonamide
CID 167770306
2-hydroxy-N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 71913402
3-[(4-cyanothiophen-2-yl)methylamino]benzenesulfonamide
CID 79606119
3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 43688458
3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
CID 159144655
tert-butyl N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 107240037

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide (CID 28614899) is 3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide is Cc1ccc(CNc2cccc(S(N)(=O)=O)c2)s1.
What is the InChIKey of 3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
The InChIKey is IWEBQMKKEYYLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-9-5-6-11(17-9)8-14-10-3-2-4-12(7-10)18(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16).
What are the key properties of 3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 28614899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).