4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide

C21H25Cl2N3O3S — CID 153283849

IUPAC4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C)[C@H]1Cc2c(Cl)cc(Cl)cc2[C@@H]1Oc1ccc(S(=O)(=O)NC2CCNC2)cc1
InChIInChI=1S/C21H25Cl2N3O3S/c1-26(2)20-11-17-18(9-13(22)10-19(17)23)21(20)29-15-3-5-16(6-4-15)30(27,28)25-14-7-8-24-12-14/h3-6,9-10,14,20-21,24-25H,7-8,11-12H2,1-2H3/t14?,20-,21-/m0/s1
InChIKeyVHQGJFXOLMLOGA-CWKJCNCHSA-N
MW470.42 g/mol
LogP3.24
Rot. Bonds6

About 4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide

4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 153283849) has the molecular formula C21H25Cl2N3O3S and a molecular weight of 470.42 g/mol. Its IUPAC name is 4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID153283849
Molecular FormulaC21H25Cl2N3O3S
Molecular Weight470.42 g/mol
Exact Mass469.10
IUPAC Name4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C)[C@H]1Cc2c(Cl)cc(Cl)cc2[C@@H]1Oc1ccc(S(=O)(=O)NC2CCNC2)cc1
InChIInChI=1S/C21H25Cl2N3O3S/c1-26(2)20-11-17-18(9-13(22)10-19(17)23)21(20)29-15-3-5-16(6-4-15)30(27,28)25-14-7-8-24-12-14/h3-6,9-10,14,20-21,24-25H,7-8,11-12H2,1-2H3/t14?,20-,21-/m0/s1
InChIKeyVHQGJFXOLMLOGA-CWKJCNCHSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide 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-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[[(1S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]benzenesulfonamide
CID 139299353
4-amino-N-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-N'-[2-[2-[2-[[4-[[(1S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]-4-methylheptanediamide
CID 139393208
1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperazine
CID 58393477
1-[4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperazine
CID 76774907
2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686004
4-[[(1S,2S)-6-chloro-2-(dimethylamino)-4-methoxy-2,3-dihydro-1H-inden-1-yl]oxy]-N-[2-(2-propoxyethoxy)ethyl]benzenesulfonamide
CID 165164574
1-[9-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonylamino]ethoxy]ethoxy]-6-oxononyl]-3-[2-[2-[2-[[4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]sulfonyl-methylamino]ethoxy]ethoxy]ethyl]urea
CID 157498739
3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967317
N,N-dimethyl-4-(pyrrolidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707602
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
4-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 62378636

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide (CID 153283849) is 4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide is CN(C)[C@H]1Cc2c(Cl)cc(Cl)cc2[C@@H]1Oc1ccc(S(=O)(=O)NC2CCNC2)cc1.
What is the InChIKey of 4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is VHQGJFXOLMLOGA-CWKJCNCHSA-N. The full InChI is InChI=1S/C21H25Cl2N3O3S/c1-26(2)20-11-17-18(9-13(22)10-19(17)23)21(20)29-15-3-5-16(6-4-15)30(27,28)25-14-7-8-24-12-14/h3-6,9-10,14,20-21,24-25H,7-8,11-12H2,1-2H3/t14?,20-,21-/m0/s1.
What are the key properties of 4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide?
4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 470.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]oxy]-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 153283849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).