2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline

C13H20N2O4S — CID 102945935

IUPAC2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCCC2C)cc1N
InChIInChI=1S/C13H20N2O4S/c1-9-5-4-6-15(9)20(16,17)13-7-10(14)11(18-2)8-12(13)19-3/h7-9H,4-6,14H2,1-3H3
InChIKeySMRIBZWRTPDXAT-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.46
Rot. Bonds4

About 2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline

2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 102945935) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
PubChem CID102945935
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCCC2C)cc1N
InChIInChI=1S/C13H20N2O4S/c1-9-5-4-6-15(9)20(16,17)13-7-10(14)11(18-2)8-12(13)19-3/h7-9H,4-6,14H2,1-3H3
InChIKeySMRIBZWRTPDXAT-UHFFFAOYSA-N
XLogP1.46
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.46
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

5-(2,3-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-2-methylaniline
CID 79962249
1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578
(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 870139
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
CID 66485991
1-(2-methoxy-5-nitrophenyl)sulfonyl-2-methylpiperidine
CID 46633525
2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 62955662
[(2S)-1-methoxy-1-oxopropan-2-yl] 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 51480092
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 65206811
4-chloro-2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 61113392
2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54881931
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728257
[(2S)-1-(5-amino-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212367

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline (CID 102945935) is 2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline is COc1cc(OC)c(S(=O)(=O)N2CCCC2C)cc1N.
What is the InChIKey of 2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is SMRIBZWRTPDXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9-5-4-6-15(9)20(16,17)13-7-10(14)11(18-2)8-12(13)19-3/h7-9H,4-6,14H2,1-3H3.
What are the key properties of 2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 300.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 102945935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).