2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide

C15H20N2O4S — CID 110789260

IUPAC2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCc2ccn(C)c2)c1
InChIInChI=1S/C15H20N2O4S/c1-17-9-7-12(11-17)6-8-16-22(18,19)15-10-13(20-2)4-5-14(15)21-3/h4-5,7,9-11,16H,6,8H2,1-3H3
InChIKeyBYYRNKMMPMGLHV-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.56
Rot. Bonds7

About 2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide

2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110789260) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
PubChem CID110789260
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCc2ccn(C)c2)c1
InChIInChI=1S/C15H20N2O4S/c1-17-9-7-12(11-17)6-8-16-22(18,19)15-10-13(20-2)4-5-14(15)21-3/h4-5,7,9-11,16H,6,8H2,1-3H3
InChIKeyBYYRNKMMPMGLHV-UHFFFAOYSA-N
XLogP1.56
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789299
4-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789246
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
2,4-dimethyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789248
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 110718832
2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722666
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide (CID 110789260) is 2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCc2ccn(C)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is BYYRNKMMPMGLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-17-9-7-12(11-17)6-8-16-22(18,19)15-10-13(20-2)4-5-14(15)21-3/h4-5,7,9-11,16H,6,8H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide?
2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110789260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).