2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide

C19H24N2O5S — CID 90595596

IUPAC2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCC(OC)C3)cc2)c1
InChIInChI=1S/C19H24N2O5S/c1-24-16-8-9-18(26-3)19(12-16)27(22,23)20-14-4-6-15(7-5-14)21-11-10-17(13-21)25-2/h4-9,12,17,20H,10-11,13H2,1-3H3
InChIKeyHSXKRIWVAPBFEY-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.73
Rot. Bonds7

About 2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide

2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 90595596) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID90595596
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCC(OC)C3)cc2)c1
InChIInChI=1S/C19H24N2O5S/c1-24-16-8-9-18(26-3)19(12-16)27(22,23)20-14-4-6-15(7-5-14)21-11-10-17(13-21)25-2/h4-9,12,17,20H,10-11,13H2,1-3H3
InChIKeyHSXKRIWVAPBFEY-UHFFFAOYSA-N
XLogP2.73
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide
CID 121141772
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 90595972
1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea
CID 90595543
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90595606
2,5-dimethoxy-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010195
4-ethoxy-3-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 71809628
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 121141754
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 121141771
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
5-[(2,5-dimethoxyphenyl)sulfonylamino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50766586

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 90595596) is 2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCC(OC)C3)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is HSXKRIWVAPBFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-24-16-8-9-18(26-3)19(12-16)27(22,23)20-14-4-6-15(7-5-14)21-11-10-17(13-21)25-2/h4-9,12,17,20H,10-11,13H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 90595596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).