4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide

C21H17ClN2O3S — CID 166326565

IUPAC4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1cccc2c(Cl)ccnc12
InChIInChI=1S/C21H17ClN2O3S/c22-18-11-12-23-21-17(18)9-4-10-20(21)28(26,27)24-13-19(25)16-8-3-6-14-5-1-2-7-15(14)16/h1-12,19,24-25H,13H2
InChIKeyVKDIPMBTZSLPEN-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.05
Rot. Bonds5

About 4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide

4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide (PubChem CID 166326565) has the molecular formula C21H17ClN2O3S and a molecular weight of 412.90 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide
PubChem CID166326565
Molecular FormulaC21H17ClN2O3S
Molecular Weight412.90 g/mol
Exact Mass412.06
IUPAC Name4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1cccc2c(Cl)ccnc12
InChIInChI=1S/C21H17ClN2O3S/c22-18-11-12-23-21-17(18)9-4-10-20(21)28(26,27)24-13-19(25)16-8-3-6-14-5-1-2-7-15(14)16/h1-12,19,24-25H,13H2
InChIKeyVKDIPMBTZSLPEN-UHFFFAOYSA-N
XLogP4.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
CID 166326540
6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide
CID 166423420
4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 166326529
4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
CID 95367217
5-chloro-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methoxybenzenesulfonamide
CID 95367250
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
CID 90497384
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-1-phenylmethanesulfonamide
CID 95367211
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
CID 90497393
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 95367244

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide (CID 166326565) is 4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide is O=S(=O)(NCC(O)c1cccc2ccccc12)c1cccc2c(Cl)ccnc12.
What is the InChIKey of 4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide?
The InChIKey is VKDIPMBTZSLPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S/c22-18-11-12-23-21-17(18)9-4-10-20(21)28(26,27)24-13-19(25)16-8-3-6-14-5-1-2-7-15(14)16/h1-12,19,24-25H,13H2.
What are the key properties of 4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide?
4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide has a molecular weight of 412.90 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 166326565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).