N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide

C14H19N3O2S — CID 66400218

IUPACN,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccn(C)c2)ccc1C
InChIInChI=1S/C14H19N3O2S/c1-11-4-5-13(8-14(11)20(18,19)15-2)16-9-12-6-7-17(3)10-12/h4-8,10,15-16H,9H2,1-3H3
InChIKeySSYONXXRZNNZIU-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.85
Rot. Bonds5

About N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide

N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide (PubChem CID 66400218) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
PubChem CID66400218
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccn(C)c2)ccc1C
InChIInChI=1S/C14H19N3O2S/c1-11-4-5-13(8-14(11)20(18,19)15-2)16-9-12-6-7-17(3)10-12/h4-8,10,15-16H,9H2,1-3H3
InChIKeySSYONXXRZNNZIU-UHFFFAOYSA-N
XLogP1.85
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66399790
N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 43717517
5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717493
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
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399139
5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 66387661
5-[2-(tert-butylamino)ethylamino]-N,2-dimethylbenzenesulfonamide
CID 107445081
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782569
N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43717561
N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747342

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide (CID 66400218) is N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(NCc2ccn(C)c2)ccc1C.
What is the InChIKey of N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide?
The InChIKey is SSYONXXRZNNZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11-4-5-13(8-14(11)20(18,19)15-2)16-9-12-6-7-17(3)10-12/h4-8,10,15-16H,9H2,1-3H3.
What are the key properties of N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide?
N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.85, 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-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 66400218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).