3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide

C14H18N2O2S — CID 110782569

IUPAC3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccn(C)c2)cc1C
InChIInChI=1S/C14H18N2O2S/c1-11-4-5-14(8-12(11)2)19(17,18)15-9-13-6-7-16(3)10-13/h4-8,10,15H,9H2,1-3H3
InChIKeyBBVQJBKRXFPSEF-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.12
Rot. Bonds4

About 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide

3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide (PubChem CID 110782569) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
PubChem CID110782569
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccn(C)c2)cc1C
InChIInChI=1S/C14H18N2O2S/c1-11-4-5-14(8-12(11)2)19(17,18)15-9-13-6-7-16(3)10-13/h4-8,10,15H,9H2,1-3H3
InChIKeyBBVQJBKRXFPSEF-UHFFFAOYSA-N
XLogP2.12
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 103723821
4-chloro-N-[(1-methylpyrrol-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 106390737
3-fluoro-N-[(1-methylpyrrol-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 106390739
2-bromo-5-[(1-methylpyrrol-3-yl)methylsulfamoyl]benzoic acid
CID 106390616
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3,4-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
CID 110405209
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 63311640
2-bromo-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248631
N-[[4-(furan-3-yl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 119103346
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870999

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide (CID 110782569) is 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccn(C)c2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
The InChIKey is BBVQJBKRXFPSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11-4-5-14(8-12(11)2)19(17,18)15-9-13-6-7-16(3)10-13/h4-8,10,15H,9H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110782569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).