2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

C17H18N2O5S — CID 77316130

IUPAC2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
SMILESCOc1ccc(NS(=O)(=O)N2Cc3ccccc3CC2C(=O)O)cc1
InChIInChI=1S/C17H18N2O5S/c1-24-15-8-6-14(7-9-15)18-25(22,23)19-11-13-5-3-2-4-12(13)10-16(19)17(20)21/h2-9,16,18H,10-11H2,1H3,(H,20,21)
InChIKeyOUEUALQOLNOBHB-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.86
Rot. Bonds5

About 2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (PubChem CID 77316130) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
PubChem CID77316130
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
SMILESCOc1ccc(NS(=O)(=O)N2Cc3ccccc3CC2C(=O)O)cc1
InChIInChI=1S/C17H18N2O5S/c1-24-15-8-6-14(7-9-15)18-25(22,23)19-11-13-5-3-2-4-12(13)10-16(19)17(20)21/h2-9,16,18H,10-11H2,1H3,(H,20,21)
InChIKeyOUEUALQOLNOBHB-UHFFFAOYSA-N
XLogP1.86
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 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

N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4229
(3R)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10761128
(3S)-2-cyclopropylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895549
(3S)-N-(4-methoxyphenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 1186289
2-(dimethylsulfamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 43210830
(3S)-2-(dimethylsulfamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 28788189
(3R)-2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 1179734
(3R)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 1086687
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 53091369
(3S)-2-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075439
(3S)-N-[(4-methoxyphenyl)methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 7399275
(3R)-2-cyclopentylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 105360691

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The IUPAC name of 2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (CID 77316130) is 2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid is COc1ccc(NS(=O)(=O)N2Cc3ccccc3CC2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
The InChIKey is OUEUALQOLNOBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-24-15-8-6-14(7-9-15)18-25(22,23)19-11-13-5-3-2-4-12(13)10-16(19)17(20)21/h2-9,16,18H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid?
2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid is sourced from PubChem (CID 77316130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).