N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide

C23H21N3O4S — CID 139030531

IUPACN-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2c(N)nccc2c1
InChIInChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)
InChIKeyBWEJNHRMGZUMNU-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.73
Rot. Bonds6

About N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide

N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide (PubChem CID 139030531) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide
PubChem CID139030531
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2c(N)nccc2c1
InChIInChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25)
InChIKeyBWEJNHRMGZUMNU-UHFFFAOYSA-N
XLogP4.73
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-pyridin-2-ylnaphthalene-2-sulfonamide
CID 747350
2-(3,4-dimethylphenoxy)-N-{4-[(2-pyridylamino)sulfonyl]phenyl}acetamide
CID 1078194
4-methoxy-N-[1-[(4-methoxyphenyl)sulfonylamino]isoquinolin-4-yl]benzenesulfonamide
CID 139559834
6-[(3S)-1-methylsulfonylpiperidin-3-yl]oxyisoquinolin-1-amine
CID 53319060
4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-N-(pyridin-2-yl)benzenesulfonamide
CID 1249615
amino 2-[4-[[(E)-3-(1-aminoisoquinolin-7-yl)-2-fluorobut-2-enoyl]amino]-3-methoxyphenyl]benzenesulfinate
CID 59895096
N-[5-[2-amino-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66807129
Amino 2-[4-[[3-(1-aminoisoquinolin-7-yl)-2-fluorobut-2-enoyl]amino]-3-methoxyphenyl]benzenesulfinate
CID 72590273
(E)-3-(1-aminoisoquinolin-7-yl)-2-fluoro-N-[2-methoxy-4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 142012285
2-[(4-Methoxyphenyl)sulfonyl-[4-[[2-methoxy-4-(2,2,2-trifluoroethyl)phenyl]sulfamoyl]isoquinolin-1-yl]amino]acetic acid
CID 153349927
Ethyl 2-[(4-methoxyphenyl)sulfonyl-[4-[[2-methoxy-4-(2,2,2-trifluoroethyl)phenyl]sulfamoyl]isoquinolin-1-yl]amino]acetate
CID 156633752
3-fluoro-N-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]benzenesulfonamide
CID 158563427

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide (CID 139030531) is N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc2c(N)nccc2c1.
What is the InChIKey of N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide?
The InChIKey is BWEJNHRMGZUMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-15-7-10-19(26-31(27,28)22-6-4-3-5-20(22)29-2)21(13-15)30-17-8-9-18-16(14-17)11-12-25-23(18)24/h3-14,26H,1-2H3,(H2,24,25).
What are the key properties of N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide?
N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoisoquinolin-6-yl)oxy-4-methylphenyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 139030531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).