N-methyl-3-pyrrol-1-ylbenzenesulfonamide

C11H12N2O2S — CID 118078276

IUPACN-methyl-3-pyrrol-1-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C11H12N2O2S/c1-12-16(14,15)11-6-4-5-10(9-11)13-7-2-3-8-13/h2-9,12H,1H3
InChIKeyZLCAQBAYDOOAPJ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.39
Rot. Bonds3

About N-methyl-3-pyrrol-1-ylbenzenesulfonamide

N-methyl-3-pyrrol-1-ylbenzenesulfonamide (PubChem CID 118078276) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-methyl-3-pyrrol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-pyrrol-1-ylbenzenesulfonamide
PubChem CID118078276
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-methyl-3-pyrrol-1-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C11H12N2O2S/c1-12-16(14,15)11-6-4-5-10(9-11)13-7-2-3-8-13/h2-9,12H,1H3
InChIKeyZLCAQBAYDOOAPJ-UHFFFAOYSA-N
XLogP1.39
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylsulfonylphenyl)pyrrole
CID 67689461
3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 51135051
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
1-(3-pyrrol-1-ylphenyl)pyrrole
CID 91674731
N-methyl-3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 59657178
N-methyl-3-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzenesulfonamide
CID 168708383
ethane;methane;N-methylbenzenesulfonamide
CID 159487495
N-[1-(3-pyrrol-1-ylphenyl)ethyl]methanesulfonamide
CID 19581833
4-fluoro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]benzenesulfonamide
CID 19581983
1-N-methyl-3-N-(4-methylphenyl)benzene-1,3-disulfonamide
CID 49186392

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrrol-1-ylbenzenesulfonamide?
The IUPAC name of N-methyl-3-pyrrol-1-ylbenzenesulfonamide (CID 118078276) is N-methyl-3-pyrrol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-3-pyrrol-1-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-3-pyrrol-1-ylbenzenesulfonamide is CNS(=O)(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-methyl-3-pyrrol-1-ylbenzenesulfonamide?
The InChIKey is ZLCAQBAYDOOAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-12-16(14,15)11-6-4-5-10(9-11)13-7-2-3-8-13/h2-9,12H,1H3.
What are the key properties of N-methyl-3-pyrrol-1-ylbenzenesulfonamide?
N-methyl-3-pyrrol-1-ylbenzenesulfonamide has a molecular weight of 236.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrrol-1-ylbenzenesulfonamide is sourced from PubChem (CID 118078276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).