N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C22H23N3O5S2 — CID 25334936

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C22H23N3O5S2/c1-30-22-12-5-4-11-21(22)24-31(26,27)20-10-6-9-19(15-20)23-32(28,29)25-14-13-17-7-2-3-8-18(17)16-25/h2-12,15,23-24H,13-14,16H2,1H3
InChIKeyCSQKBVGTSOZBGX-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.21
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 25334936) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID25334936
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C22H23N3O5S2/c1-30-22-12-5-4-11-21(22)24-31(26,27)20-10-6-9-19(15-20)23-32(28,29)25-14-13-17-7-2-3-8-18(17)16-25/h2-12,15,23-24H,13-14,16H2,1H3
InChIKeyCSQKBVGTSOZBGX-UHFFFAOYSA-N
XLogP3.21
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 10891526
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 9414168
4-[(E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 26532556
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 32766654
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
ethyl 4-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 3950325
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30551266
3-(1-hydroxyethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 42946409
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbenzenesulfonamide
CID 16926329
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 18775433

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 25334936) is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is COc1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is CSQKBVGTSOZBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-30-22-12-5-4-11-21(22)24-31(26,27)20-10-6-9-19(15-20)23-32(28,29)25-14-13-17-7-2-3-8-18(17)16-25/h2-12,15,23-24H,13-14,16H2,1H3.
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 473.58 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 25334936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).