5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol

C20H21ClN2O2S — CID 142072340

IUPAC5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol
SMILESCN(C)CCOc1cc(NSc2cccc3c(O)cccc23)ccc1Cl
InChIInChI=1S/C20H21ClN2O2S/c1-23(2)11-12-25-19-13-14(9-10-17(19)21)22-26-20-8-4-5-15-16(20)6-3-7-18(15)24/h3-10,13,22,24H,11-12H2,1-2H3
InChIKeyWYLVZVRNUHAAKM-UHFFFAOYSA-N
MW388.92 g/mol
LogP5.26
Rot. Bonds7

About 5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol

5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol (PubChem CID 142072340) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol
PubChem CID142072340
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol
SMILESCN(C)CCOc1cc(NSc2cccc3c(O)cccc23)ccc1Cl
InChIInChI=1S/C20H21ClN2O2S/c1-23(2)11-12-25-19-13-14(9-10-17(19)21)22-26-20-8-4-5-15-16(20)6-3-7-18(15)24/h3-10,13,22,24H,11-12H2,1-2H3
InChIKeyWYLVZVRNUHAAKM-UHFFFAOYSA-N
XLogP5.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.92
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[2-(dimethylamino)ethoxy]-N-phenylsulfanylaniline;fluoromethane
CID 142072355
N-(4-butylphenyl)sulfanyl-4-chloro-3-[2-(dimethylamino)ethoxy]aniline
CID 142072316
[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]boronic acid
CID 53216473
2,3,6-trichloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]benzenesulfonamide
CID 70033242
3-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzenesulfonamide
CID 10222792
N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide
CID 142184435
5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide
CID 57437853
N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-2-propylsulfanyl-1H-pyrimidine-5-sulfonamide
CID 86593855
N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4,5-dimethoxy-2-phenylbenzenesulfonamide
CID 10117297
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-hydroxynaphthalene-2-carboxamide
CID 166219863
3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
CID 114525429
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol?
The IUPAC name of 5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol (CID 142072340) is 5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol.
What is the SMILES notation for 5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol?
The canonical SMILES for 5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol is CN(C)CCOc1cc(NSc2cccc3c(O)cccc23)ccc1Cl.
What is the InChIKey of 5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol?
The InChIKey is WYLVZVRNUHAAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-23(2)11-12-25-19-13-14(9-10-17(19)21)22-26-20-8-4-5-15-16(20)6-3-7-18(15)24/h3-10,13,22,24H,11-12H2,1-2H3.
What are the key properties of 5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol?
5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol has a molecular weight of 388.92 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol is sourced from PubChem (CID 142072340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).