5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide

C17H14Cl2N2O3S — CID 10453395

IUPAC5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide
SMILESCc1ccc2c(Cl)cc(S(=O)(=O)NCc3ccc(Cl)cc3)c(O)c2n1
InChIInChI=1S/C17H14Cl2N2O3S/c1-10-2-7-13-14(19)8-15(17(22)16(13)21-10)25(23,24)20-9-11-3-5-12(18)6-4-11/h2-8,20,22H,9H2,1H3
InChIKeyCVOUEVVZTAXTAC-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.03
Rot. Bonds4

About 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide

5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide (PubChem CID 10453395) has the molecular formula C17H14Cl2N2O3S and a molecular weight of 397.28 g/mol. Its IUPAC name is 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide
PubChem CID10453395
Molecular FormulaC17H14Cl2N2O3S
Molecular Weight397.28 g/mol
Exact Mass396.01
IUPAC Name5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide
SMILESCc1ccc2c(Cl)cc(S(=O)(=O)NCc3ccc(Cl)cc3)c(O)c2n1
InChIInChI=1S/C17H14Cl2N2O3S/c1-10-2-7-13-14(19)8-15(17(22)16(13)21-10)25(23,24)20-9-11-3-5-12(18)6-4-11/h2-8,20,22H,9H2,1H3
InChIKeyCVOUEVVZTAXTAC-UHFFFAOYSA-N
XLogP4.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266
5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide
CID 18372741
5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide
CID 18372703
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
N-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 19680642
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 3867018
5-chloro-N-(4-chlorophenyl)-8-hydroxyquinoline-7-sulfonamide
CID 18372613
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
2-amino-5-bromo-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 60986118
2-chloro-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415395
N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide?
The IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide (CID 10453395) is 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide?
The canonical SMILES for 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide is Cc1ccc2c(Cl)cc(S(=O)(=O)NCc3ccc(Cl)cc3)c(O)c2n1.
What is the InChIKey of 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide?
The InChIKey is CVOUEVVZTAXTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3S/c1-10-2-7-13-14(19)8-15(17(22)16(13)21-10)25(23,24)20-9-11-3-5-12(18)6-4-11/h2-8,20,22H,9H2,1H3.
What are the key properties of 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide?
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide has a molecular weight of 397.28 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide is sourced from PubChem (CID 10453395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).