4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide

C16H23N3O6S — CID 67126570

IUPAC4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H23N3O6S/c17-26(22,23)14-5-6-16(15(11-14)19(20)21)25-13-3-1-12(2-4-13)18-7-9-24-10-8-18/h5-6,11-13H,1-4,7-10H2,(H2,17,22,23)
InChIKeyYGMXRLZUCSQLCA-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.26
Rot. Bonds5

About 4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide

4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide (PubChem CID 67126570) has the molecular formula C16H23N3O6S and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide
PubChem CID67126570
Molecular FormulaC16H23N3O6S
Molecular Weight385.44 g/mol
Exact Mass385.13
IUPAC Name4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OC2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H23N3O6S/c17-26(22,23)14-5-6-16(15(11-14)19(20)21)25-13-3-1-12(2-4-13)18-7-9-24-10-8-18/h5-6,11-13H,1-4,7-10H2,(H2,17,22,23)
InChIKeyYGMXRLZUCSQLCA-UHFFFAOYSA-N
XLogP1.26
TPSA125.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[(1S,3R)-3-morpholin-4-ylcyclopentyl]methoxy]-3-nitrobenzenesulfonamide
CID 67126637
3-nitro-4-[[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]methoxy]benzenesulfonamide
CID 67126683
4-(4-methylsulfonyl-2-nitrophenoxy)cyclohexan-1-amine
CID 62808316
5-nitro-2-(oxan-4-yloxy)benzenesulfonamide
CID 63937462
4-amino-3-(oxan-4-yloxy)benzenesulfonamide
CID 82898188
2-methyl-5-nitro-4-(oxan-4-yloxy)benzenesulfonamide
CID 63937667
4-(2-aminoethoxy)-3-nitrobenzenesulfonamide
CID 62347424
4-[methyl-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]amino]-3-nitrobenzenesulfonamide
CID 67126387
2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
CID 158570473
4-[4-(cyclohexylmethoxy)-3-nitrophenyl]sulfonylmorpholine
CID 7229733
2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetic acid
CID 16771112
3-nitro-4-(piperidin-4-ylmethoxy)benzenesulfonamide
CID 62349516

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide?
The IUPAC name of 4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide (CID 67126570) is 4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(OC2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide?
The InChIKey is YGMXRLZUCSQLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O6S/c17-26(22,23)14-5-6-16(15(11-14)19(20)21)25-13-3-1-12(2-4-13)18-7-9-24-10-8-18/h5-6,11-13H,1-4,7-10H2,(H2,17,22,23).
What are the key properties of 4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide?
4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide has a molecular weight of 385.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylcyclohexyl)oxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 67126570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).