4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol

C11H14N2O6S — CID 43429174

IUPAC4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol
SMILESCC1COCCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O6S/c1-8-7-19-5-4-12(8)20(17,18)9-2-3-11(14)10(6-9)13(15)16/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyWIFOIFFJXNAXDJ-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.71
Rot. Bonds3

About 4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol

4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol (PubChem CID 43429174) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol.

Molecular Properties

Compound Name4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol
PubChem CID43429174
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol
SMILESCC1COCCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O6S/c1-8-7-19-5-4-12(8)20(17,18)9-2-3-11(14)10(6-9)13(15)16/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyWIFOIFFJXNAXDJ-UHFFFAOYSA-N
XLogP0.71
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-nitrophenol
CID 79181850
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CID 47171390
2-methyl-4-(3-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 106833027
N-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-4-nitroaniline
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4-(2-chloro-5-nitrophenyl)sulfonyl-3-methylmorpholine
CID 43429161
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CID 43542367
2-methoxy-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773806
N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine
CID 80746916
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
(E)-3-[4-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 106773963
1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid
CID 93044965
(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine
CID 51939603

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol?
The IUPAC name of 4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol (CID 43429174) is 4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol.
What is the SMILES notation for 4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol?
The canonical SMILES for 4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol is CC1COCCN1S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol?
The InChIKey is WIFOIFFJXNAXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c1-8-7-19-5-4-12(8)20(17,18)9-2-3-11(14)10(6-9)13(15)16/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of 4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol?
4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol has a molecular weight of 302.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylmorpholin-4-yl)sulfonyl-2-nitrophenol is sourced from PubChem (CID 43429174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).