N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide

C23H27ClN4O3S — CID 66740564

IUPACN-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCNC1Cc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(Cl)c1
InChIInChI=1S/C23H27ClN4O3S/c1-25-23-12-17-6-7-19(13-21(17)22(23)11-16-4-3-5-18(24)10-16)31-9-8-27-32(29,30)20-14-26-28(2)15-20/h3-7,10,13-15,22-23,25,27H,8-9,11-12H2,1-2H3
InChIKeyNLOAUVSKIINYOB-UHFFFAOYSA-N
MW475.01 g/mol
LogP2.90
Rot. Bonds9

About N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 66740564) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID66740564
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC NameN-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCNC1Cc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(Cl)c1
InChIInChI=1S/C23H27ClN4O3S/c1-25-23-12-17-6-7-19(13-21(17)22(23)11-16-4-3-5-18(24)10-16)31-9-8-27-32(29,30)20-14-26-28(2)15-20/h3-7,10,13-15,22-23,25,27H,8-9,11-12H2,1-2H3
InChIKeyNLOAUVSKIINYOB-UHFFFAOYSA-N
XLogP2.90
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide 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-[2-[[7-(azetidin-1-yl)-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 57487165
N-[2-[[7-amino-8-[(2,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 57487105
N-[2-[3-[1-amino-3-(3-chlorophenyl)propan-2-yl]phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 141331519
ethyl N-[4-benzyl-6-[2-[(1-methylpyrazol-4-yl)sulfonylamino]ethoxy]-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 71245390
N-[2-[[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-5-chlorothiophene-2-sulfonamide
CID 57487093
N-[2-[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56656431
N-[2-[[3-[(3-fluorophenyl)methyl]-2-(methylaminomethyl)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylimidazole-4-sulfonamide
CID 56656376
N-[2-[[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropylethanesulfonamide
CID 91279869
1-methyl-N-[2-[2-(methylaminomethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]pyrazole-4-sulfonamide
CID 66745311
N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride
CID 57471180
N-[2-[[8-[(3-chlorophenyl)methyl]-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
CID 59547811
ethyl N-[1-[(3,4-dichlorophenyl)methyl]-7-[3-(1-methylpyrazol-4-yl)sulfonylpropoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 148703778

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide (CID 66740564) is N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide is CNC1Cc2ccc(OCCNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(Cl)c1.
What is the InChIKey of N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is NLOAUVSKIINYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-25-23-12-17-6-7-19(13-21(17)22(23)11-16-4-3-5-18(24)10-16)31-9-8-27-32(29,30)20-14-26-28(2)15-20/h3-7,10,13-15,22-23,25,27H,8-9,11-12H2,1-2H3.
What are the key properties of N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 475.01 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-[(3-chlorophenyl)methyl]-2-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 66740564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).