N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine

C22H20N4O3S — CID 156827961

IUPACN-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine
SMILESO=S(=O)(Nc1ccc2c(c1)OCCN2c1ccccc1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C22H20N4O3S/c27-30(28,24-17-7-6-16-10-11-23-20(16)14-17)25-18-8-9-21-22(15-18)29-13-12-26(21)19-4-2-1-3-5-19/h1-11,14-15,23-25H,12-13H2
InChIKeyMIMODJNRJIBGBC-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.47
Rot. Bonds5

About N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine

N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine (PubChem CID 156827961) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine.

Molecular Properties

Compound NameN-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine
PubChem CID156827961
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine
SMILESO=S(=O)(Nc1ccc2c(c1)OCCN2c1ccccc1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C22H20N4O3S/c27-30(28,24-17-7-6-16-10-11-23-20(16)14-17)25-18-8-9-21-22(15-18)29-13-12-26(21)19-4-2-1-3-5-19/h1-11,14-15,23-25H,12-13H2
InChIKeyMIMODJNRJIBGBC-UHFFFAOYSA-N
XLogP4.47
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

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Related Compounds

7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
CID 58184388
1-[(4-benzyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]-3-(1H-indol-6-yl)urea
CID 167463909
N-(1H-indol-6-yl)ethanesulfonamide
CID 110730845
2-fluoro-N-(1H-indol-6-yl)benzenesulfonamide
CID 71954733
1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea
CID 156828159
4-phenyl-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 58495369
3-(1H-indol-6-ylamino)-1-phenylpyrrolidine-2,5-dione
CID 19057923
4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469
N-(1H-indol-6-yl)butane-1-sulfonamide
CID 110730847
1-[4-[[3-(hydroxymethyl)phenyl]methyl]-3-oxo-1,4-benzoxazin-7-yl]-3-(1H-indol-6-yl)urea
CID 156871886
N-(2-morpholin-4-ylethyl)-1H-indol-6-amine
CID 69376753
3-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110639725

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine?
The IUPAC name of N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine (CID 156827961) is N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine.
What is the SMILES notation for N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine?
The canonical SMILES for N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine is O=S(=O)(Nc1ccc2c(c1)OCCN2c1ccccc1)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine?
The InChIKey is MIMODJNRJIBGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c27-30(28,24-17-7-6-16-10-11-23-20(16)14-17)25-18-8-9-21-22(15-18)29-13-12-26(21)19-4-2-1-3-5-19/h1-11,14-15,23-25H,12-13H2.
What are the key properties of N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine?
N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine has a molecular weight of 420.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylsulfamoyl)-4-phenyl-2,3-dihydro-1,4-benzoxazin-7-amine is sourced from PubChem (CID 156827961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).