4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine

C17H24N2O6S — CID 7229733

IUPAC4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCC1CCCCC1
InChIInChI=1S/C17H24N2O6S/c20-19(21)16-12-15(26(22,23)18-8-10-24-11-9-18)6-7-17(16)25-13-14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11,13H2
InChIKeyVKIKHQSWGASWTO-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.57
Rot. Bonds6

About 4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine

4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine (PubChem CID 7229733) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine
PubChem CID7229733
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCC1CCCCC1
InChIInChI=1S/C17H24N2O6S/c20-19(21)16-12-15(26(22,23)18-8-10-24-11-9-18)6-7-17(16)25-13-14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11,13H2
InChIKeyVKIKHQSWGASWTO-UHFFFAOYSA-N
XLogP2.57
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
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

2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetic acid
CID 16771112
N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 25470819
4-[4-[4-(cyclohexylmethyl)piperazin-1-yl]-3-nitrophenyl]sulfonylmorpholine
CID 25336238
4-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylmorpholine
CID 7290604
4-[4-[(2,4-dichlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 71905324
4-[4-(2,3-dihydro-1H-inden-5-yloxy)-3-nitrophenyl]sulfonylmorpholine
CID 4789878
4-[4-[(3-chlorophenyl)methoxy]-3-nitrophenyl]sulfonylmorpholine
CID 4804834
1-[4-[[(1R)-2,2-dichlorocyclopropyl]methoxy]-3-nitrophenyl]sulfonylpyrrolidine
CID 9353864
4-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methoxy]-3-nitrobenzenesulfonamide
CID 67126637
4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
CID 9280495
4-[4-(2,5-dimethylphenoxy)-3-nitrophenyl]sulfonylmorpholine
CID 4261071
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine (CID 7229733) is 4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCC1CCCCC1.
What is the InChIKey of 4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine?
The InChIKey is VKIKHQSWGASWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c20-19(21)16-12-15(26(22,23)18-8-10-24-11-9-18)6-7-17(16)25-13-14-4-2-1-3-5-14/h6-7,12,14H,1-5,8-11,13H2.
What are the key properties of 4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine?
4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine has a molecular weight of 384.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine is sourced from PubChem (CID 7229733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).