4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine

C18H19N3O5S — CID 110316294

IUPAC4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3cc(N4CCOCC4)ccc32)c1
InChIInChI=1S/C18H19N3O5S/c22-21(23)16-2-1-3-17(13-16)27(24,25)20-7-6-14-12-15(4-5-18(14)20)19-8-10-26-11-9-19/h1-5,12-13H,6-11H2
InChIKeyKUZKZRZWBNNNSA-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.18
Rot. Bonds4

About 4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine

4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine (PubChem CID 110316294) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
PubChem CID110316294
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3cc(N4CCOCC4)ccc32)c1
InChIInChI=1S/C18H19N3O5S/c22-21(23)16-2-1-3-17(13-16)27(24,25)20-7-6-14-12-15(4-5-18(14)20)19-8-10-26-11-9-19/h1-5,12-13H,6-11H2
InChIKeyKUZKZRZWBNNNSA-UHFFFAOYSA-N
XLogP2.18
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438
1-(3-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine
CID 23120118
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268
4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine
CID 110316148
1-(4-nitrophenyl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 19682752
4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316144
4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 5301615
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
1-(3-nitrophenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 126485505
7-chloro-4-(3-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 156859794
3-morpholin-4-ylaniline;4-(3-nitrophenyl)morpholine
CID 159730458
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-nitrobenzenesulfonamide
CID 16825779

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine?
The IUPAC name of 4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine (CID 110316294) is 4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine.
What is the SMILES notation for 4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine?
The canonical SMILES for 4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine is O=[N+]([O-])c1cccc(S(=O)(=O)N2CCc3cc(N4CCOCC4)ccc32)c1.
What is the InChIKey of 4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine?
The InChIKey is KUZKZRZWBNNNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-21(23)16-2-1-3-17(13-16)27(24,25)20-7-6-14-12-15(4-5-18(14)20)19-8-10-26-11-9-19/h1-5,12-13H,6-11H2.
What are the key properties of 4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine?
4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine has a molecular weight of 389.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine is sourced from PubChem (CID 110316294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).