N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide

C13H16N2O2S2 — CID 43717517

IUPACN,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccsc2)ccc1C
InChIInChI=1S/C13H16N2O2S2/c1-10-3-4-12(7-13(10)19(16,17)14-2)15-8-11-5-6-18-9-11/h3-7,9,14-15H,8H2,1-2H3
InChIKeyHPJCRUAXVZPNKZ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.58
Rot. Bonds5

About N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide

N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide (PubChem CID 43717517) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide
PubChem CID43717517
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccsc2)ccc1C
InChIInChI=1S/C13H16N2O2S2/c1-10-3-4-12(7-13(10)19(16,17)14-2)15-8-11-5-6-18-9-11/h3-7,9,14-15H,8H2,1-2H3
InChIKeyHPJCRUAXVZPNKZ-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 63247673
5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717493
N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400218
N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 104821897
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717522
5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 66387661
5-[2-(tert-butylamino)ethylamino]-N,2-dimethylbenzenesulfonamide
CID 107445081
3-methylsulfonyl-N-(thiophen-3-ylmethyl)aniline
CID 54861617
N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43717561
N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747342
4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline
CID 115758186

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide (CID 43717517) is N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1cc(NCc2ccsc2)ccc1C.
What is the InChIKey of N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide?
The InChIKey is HPJCRUAXVZPNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10-3-4-12(7-13(10)19(16,17)14-2)15-8-11-5-6-18-9-11/h3-7,9,14-15H,8H2,1-2H3.
What are the key properties of N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide?
N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 43717517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).