2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide

C15H20N2O4S — CID 110721113

IUPAC2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCn2cccc2)c1
InChIInChI=1S/C15H20N2O4S/c1-20-13-6-7-14(21-2)15(12-13)22(18,19)16-8-5-11-17-9-3-4-10-17/h3-4,6-7,9-10,12,16H,5,8,11H2,1-2H3
InChIKeyFNXHWTDVHISHNS-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.87
Rot. Bonds8

About 2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide

2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide (PubChem CID 110721113) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
PubChem CID110721113
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCn2cccc2)c1
InChIInChI=1S/C15H20N2O4S/c1-20-13-6-7-14(21-2)15(12-13)22(18,19)16-8-5-11-17-9-3-4-10-17/h3-4,6-7,9-10,12,16H,5,8,11H2,1-2H3
InChIKeyFNXHWTDVHISHNS-UHFFFAOYSA-N
XLogP1.87
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
2,5-dimethoxy-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzenesulfonamide
CID 110292045
2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789260
2,5-dimethoxy-N-(3-propoxypropyl)benzenesulfonamide
CID 4987407
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2,5-dimethoxy-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 46633637
N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 141008380
N-[3-(cyclopropylmethoxy)propyl]-2,5-dimethoxybenzenesulfonamide
CID 46633566

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide (CID 110721113) is 2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCCn2cccc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The InChIKey is FNXHWTDVHISHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-20-13-6-7-14(21-2)15(12-13)22(18,19)16-8-5-11-17-9-3-4-10-17/h3-4,6-7,9-10,12,16H,5,8,11H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 110721113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).