4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide

C14H18N2O3S — CID 110721099

IUPAC4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCn2cccc2)cc1
InChIInChI=1S/C14H18N2O3S/c1-19-13-5-7-14(8-6-13)20(17,18)15-9-4-12-16-10-2-3-11-16/h2-3,5-8,10-11,15H,4,9,12H2,1H3
InChIKeyRHRJITBOYUZZED-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.87
Rot. Bonds7

About 4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide

4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide (PubChem CID 110721099) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
PubChem CID110721099
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCn2cccc2)cc1
InChIInChI=1S/C14H18N2O3S/c1-19-13-5-7-14(8-6-13)20(17,18)15-9-4-12-16-10-2-3-11-16/h2-3,5-8,10-11,15H,4,9,12H2,1H3
InChIKeyRHRJITBOYUZZED-UHFFFAOYSA-N
XLogP1.87
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
4-propan-2-yloxy-N-(2-pyrrol-1-ylethyl)benzenesulfonamide
CID 110716379
4-(3-pyrrol-1-ylpropylsulfamoyl)benzoic acid
CID 110721138
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
N-[6-(1,3-dioxoisoindol-2-yl)hexyl]-4-methoxybenzenesulfonamide
CID 168878182
4-methoxy-N-pent-4-ynylbenzenesulfonamide
CID 103698076
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide (CID 110721099) is 4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCn2cccc2)cc1.
What is the InChIKey of 4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The InChIKey is RHRJITBOYUZZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-13-5-7-14(8-6-13)20(17,18)15-9-4-12-16-10-2-3-11-16/h2-3,5-8,10-11,15H,4,9,12H2,1H3.
What are the key properties of 4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 110721099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).