N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide

C20H21N3O4S — CID 10294352

IUPACN-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCN3CCOCC3)c3c2c2c(cccc12)C3
InChIInChI=1S/C20H21N3O4S/c24-20-14-3-1-2-13-12-15-17(5-4-16(22-20)19(15)18(13)14)28(25,26)21-6-7-23-8-10-27-11-9-23/h1-5,21H,6-12H2,(H,22,24)
InChIKeyFIIHFHBQHBRPRI-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.20
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide

N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide (PubChem CID 10294352) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide
PubChem CID10294352
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCN3CCOCC3)c3c2c2c(cccc12)C3
InChIInChI=1S/C20H21N3O4S/c24-20-14-3-1-2-13-12-15-17(5-4-16(22-20)19(15)18(13)14)28(25,26)21-6-7-23-8-10-27-11-9-23/h1-5,21H,6-12H2,(H,22,24)
InChIKeyFIIHFHBQHBRPRI-UHFFFAOYSA-N
XLogP1.20
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide with MolForge

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Related Compounds

2-morpholin-4-yl-N-(7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-2-yl)acetamide
CID 58777478
4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
CID 16644689
N-[3-(dimethylamino)propyl]-N-methyl-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide
CID 58777474
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
1-hydroxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 70180257
2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60822981
2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 3086747
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8777856

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide (CID 10294352) is N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCCN3CCOCC3)c3c2c2c(cccc12)C3.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide?
The InChIKey is FIIHFHBQHBRPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-20-14-3-1-2-13-12-15-17(5-4-16(22-20)19(15)18(13)14)28(25,26)21-6-7-23-8-10-27-11-9-23/h1-5,21H,6-12H2,(H,22,24).
What are the key properties of N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide?
N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide has a molecular weight of 399.47 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-7-oxo-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaene-2-sulfonamide is sourced from PubChem (CID 10294352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).