5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline

C12H18N2O4S — CID 103530263

IUPAC5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
SMILESCOc1ccc(S(=O)(=O)N2CCC(OC)C2)c(N)c1
InChIInChI=1S/C12H18N2O4S/c1-17-9-3-4-12(11(13)7-9)19(15,16)14-6-5-10(8-14)18-2/h3-4,7,10H,5-6,8,13H2,1-2H3
InChIKeyNUXIHRZYAZBLDA-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.69
Rot. Bonds4

About 5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline

5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline (PubChem CID 103530263) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
PubChem CID103530263
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
SMILESCOc1ccc(S(=O)(=O)N2CCC(OC)C2)c(N)c1
InChIInChI=1S/C12H18N2O4S/c1-17-9-3-4-12(11(13)7-9)19(15,16)14-6-5-10(8-14)18-2/h3-4,7,10H,5-6,8,13H2,1-2H3
InChIKeyNUXIHRZYAZBLDA-UHFFFAOYSA-N
XLogP0.69
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
5-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66392074
4-bromo-5-fluoro-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 106492202
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604557
5-bromo-2-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 43372850
2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604734
4-(3-methoxypyrrolidin-1-yl)sulfonyl-3-nitroaniline
CID 103538293
1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096099
3-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylaniline
CID 103530274
3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine
CID 103530237
5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538299

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline (CID 103530263) is 5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline is COc1ccc(S(=O)(=O)N2CCC(OC)C2)c(N)c1.
What is the InChIKey of 5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline?
The InChIKey is NUXIHRZYAZBLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-9-3-4-12(11(13)7-9)19(15,16)14-6-5-10(8-14)18-2/h3-4,7,10H,5-6,8,13H2,1-2H3.
What are the key properties of 5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline?
5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline has a molecular weight of 286.35 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 103530263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).