N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide

C13H16N2O2S — CID 2815625

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2)n1C
InChIInChI=1S/C13H16N2O2S/c1-11-8-9-12(15(11)2)10-14-18(16,17)13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3
InChIKeyVTPCOPLYCRNBLP-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.81
Rot. Bonds4

About N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide (PubChem CID 2815625) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide
PubChem CID2815625
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2)n1C
InChIInChI=1S/C13H16N2O2S/c1-11-8-9-12(15(11)2)10-14-18(16,17)13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3
InChIKeyVTPCOPLYCRNBLP-UHFFFAOYSA-N
XLogP1.81
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(1-methylindol-2-yl)methyl]benzenesulfonamide
CID 102141754
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 2811533
N-[(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)methyl]benzenesulfonamide
CID 172691631
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 46764245
N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride
CID 142645086
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide
CID 110416248
N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263618
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[[5-(benzenesulfonamidomethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662153
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide (CID 2815625) is N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccccc2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide?
The InChIKey is VTPCOPLYCRNBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-11-8-9-12(15(11)2)10-14-18(16,17)13-6-4-3-5-7-13/h3-9,14H,10H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2815625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).