4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine

C11H13ClN2O5S — CID 43394184

IUPAC4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1
InChIInChI=1S/C11H13ClN2O5S/c1-8-7-13(4-5-19-8)20(17,18)11-6-9(14(15)16)2-3-10(11)12/h2-3,6,8H,4-5,7H2,1H3
InChIKeyFCFSCXNKCBRCNW-UHFFFAOYSA-N
MW320.75 g/mol
LogP1.66
Rot. Bonds3

About 4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine

4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine (PubChem CID 43394184) has the molecular formula C11H13ClN2O5S and a molecular weight of 320.75 g/mol. Its IUPAC name is 4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine
PubChem CID43394184
Molecular FormulaC11H13ClN2O5S
Molecular Weight320.75 g/mol
Exact Mass320.02
IUPAC Name4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1
InChIInChI=1S/C11H13ClN2O5S/c1-8-7-13(4-5-19-8)20(17,18)11-6-9(14(15)16)2-3-10(11)12/h2-3,6,8H,4-5,7H2,1H3
InChIKeyFCFSCXNKCBRCNW-UHFFFAOYSA-N
XLogP1.66
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
CID 51294925
[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81193435
N-methyl-2-(2-methylmorpholin-4-yl)sulfonyl-5-nitroaniline
CID 62150394
[2-(2-methylmorpholin-4-yl)sulfonyl-5-nitrophenyl]hydrazine
CID 43142206
1-(2-chloro-5-nitrophenyl)sulfonyl-3,5-dimethylpiperidine
CID 43389412
1-(2-chloro-5-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536392
1-(2-chloro-5-nitrophenyl)sulfonyl-3-methoxypyrrolidine
CID 103532779
(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 28522353
1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 29034322
1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031991
4-(2-chloro-5-nitrophenyl)sulfonyl-3-methylmorpholine
CID 43429161
4-(2-methylmorpholin-4-yl)sulfonyl-2-nitroaniline
CID 43348538

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine?
The IUPAC name of 4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine (CID 43394184) is 4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine.
What is the SMILES notation for 4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine?
The canonical SMILES for 4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine is CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1.
What is the InChIKey of 4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine?
The InChIKey is FCFSCXNKCBRCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O5S/c1-8-7-13(4-5-19-8)20(17,18)11-6-9(14(15)16)2-3-10(11)12/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine?
4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine has a molecular weight of 320.75 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine is sourced from PubChem (CID 43394184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).