N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide

C24H25ClN2O5S — CID 142184435

IUPACN-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide
SMILESC=Cc1cc(O)cc(Oc2cccc(S(=O)(=O)Nc3ccc(Cl)c(OCCN(C)C)c3)c2)c1
InChIInChI=1S/C24H25ClN2O5S/c1-4-17-12-19(28)15-21(13-17)32-20-6-5-7-22(16-20)33(29,30)26-18-8-9-23(25)24(14-18)31-11-10-27(2)3/h4-9,12-16,26,28H,1,10-11H2,2-3H3
InChIKeyHXGXITLIBMDHGO-UHFFFAOYSA-N
MW488.99 g/mol
LogP5.22
Rot. Bonds10

About N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide

N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide (PubChem CID 142184435) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide
PubChem CID142184435
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC NameN-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide
SMILESC=Cc1cc(O)cc(Oc2cccc(S(=O)(=O)Nc3ccc(Cl)c(OCCN(C)C)c3)c2)c1
InChIInChI=1S/C24H25ClN2O5S/c1-4-17-12-19(28)15-21(13-17)32-20-6-5-7-22(16-20)33(29,30)26-18-8-9-23(25)24(14-18)31-11-10-27(2)3/h4-9,12-16,26,28H,1,10-11H2,2-3H3
InChIKeyHXGXITLIBMDHGO-UHFFFAOYSA-N
XLogP5.22
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.99
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzenesulfonamide
CID 10222792
2,3,6-trichloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]benzenesulfonamide
CID 70033242
5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide
CID 57437853
N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4,5-dimethoxy-2-phenylbenzenesulfonamide
CID 10117297
4-bromo-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 59068691
4-(3-chloro-2-cyanophenoxy)-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-5-methoxy-2-methylbenzenesulfonamide
CID 10187515
N-[3-[2-(dimethylamino)ethoxy]-4-iodophenyl]-4-iodobenzenesulfonamide
CID 10188202
N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-2-propylsulfanyl-1H-pyrimidine-5-sulfonamide
CID 86593855
5-[4-chloro-3-[2-(dimethylamino)ethoxy]anilino]sulfanylnaphthalen-1-ol
CID 142072340
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]boronic acid
CID 53216473
N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide
CID 143906940

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide?
The IUPAC name of N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide (CID 142184435) is N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide is C=Cc1cc(O)cc(Oc2cccc(S(=O)(=O)Nc3ccc(Cl)c(OCCN(C)C)c3)c2)c1.
What is the InChIKey of N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide?
The InChIKey is HXGXITLIBMDHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-4-17-12-19(28)15-21(13-17)32-20-6-5-7-22(16-20)33(29,30)26-18-8-9-23(25)24(14-18)31-11-10-27(2)3/h4-9,12-16,26,28H,1,10-11H2,2-3H3.
What are the key properties of N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide?
N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide has a molecular weight of 488.99 g/mol, XLogP of 5.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-3-(3-ethenyl-5-hydroxyphenoxy)benzenesulfonamide is sourced from PubChem (CID 142184435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).