4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline

C11H15N3O5S — CID 43348538

IUPAC4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline
SMILESCC1CN(S(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1
InChIInChI=1S/C11H15N3O5S/c1-8-7-13(4-5-19-8)20(17,18)9-2-3-10(12)11(6-9)14(15)16/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyFJOUNNKGRRQQQB-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.59
Rot. Bonds3

About 4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline

4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline (PubChem CID 43348538) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline
PubChem CID43348538
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline
SMILESCC1CN(S(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1
InChIInChI=1S/C11H15N3O5S/c1-8-7-13(4-5-19-8)20(17,18)9-2-3-10(12)11(6-9)14(15)16/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyFJOUNNKGRRQQQB-UHFFFAOYSA-N
XLogP0.59
TPSA115.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694
2-nitro-4-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62967617
4-(3-methoxypyrrolidin-1-yl)sulfonyl-2-nitroaniline
CID 103535330
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-2-nitroaniline
CID 64599394
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398346
2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
CID 51294925
4-(3-amino-4-nitrophenyl)sulfonylmorpholine-2-carbonitrile
CID 82847459
2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62987939
4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine
CID 43394184
2-[1-(4-amino-3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114798336
[2-(2-methylmorpholin-4-yl)sulfonyl-5-nitrophenyl]hydrazine
CID 43142206
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
CID 52985823

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline?
The IUPAC name of 4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline (CID 43348538) is 4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline is CC1CN(S(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)CCO1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline?
The InChIKey is FJOUNNKGRRQQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-8-7-13(4-5-19-8)20(17,18)9-2-3-10(12)11(6-9)14(15)16/h2-3,6,8H,4-5,7,12H2,1H3.
What are the key properties of 4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline?
4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline has a molecular weight of 301.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline is sourced from PubChem (CID 43348538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).