5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide

C18H16BrClN2O3S — CID 18372741

IUPAC5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide
SMILESCOc1c(S(=O)(=O)NCc2ccc(Cl)cc2)cc(Br)c2ccc(C)nc12
InChIInChI=1S/C18H16BrClN2O3S/c1-11-3-8-14-15(19)9-16(18(25-2)17(14)22-11)26(23,24)21-10-12-4-6-13(20)7-5-12/h3-9,21H,10H2,1-2H3
InChIKeyYTVYDVXGXHQHIZ-UHFFFAOYSA-N
MW455.76 g/mol
LogP4.45
Rot. Bonds5

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

5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide (PubChem CID 18372741) has the molecular formula C18H16BrClN2O3S and a molecular weight of 455.76 g/mol. Its IUPAC name is 5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide
PubChem CID18372741
Molecular FormulaC18H16BrClN2O3S
Molecular Weight455.76 g/mol
Exact Mass453.98
IUPAC Name5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide
SMILESCOc1c(S(=O)(=O)NCc2ccc(Cl)cc2)cc(Br)c2ccc(C)nc12
InChIInChI=1S/C18H16BrClN2O3S/c1-11-3-8-14-15(19)9-16(18(25-2)17(14)22-11)26(23,24)21-10-12-4-6-13(20)7-5-12/h3-9,21H,10H2,1-2H3
InChIKeyYTVYDVXGXHQHIZ-UHFFFAOYSA-N
XLogP4.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.76
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide
CID 10453395
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
lithium 5-bromo-8-methoxy-2-methyl-7-sulfinatoquinoline
CID 20643086
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide
CID 168991112
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321
2-amino-5-bromo-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 60986118
2-bromo-N-[(4-chlorophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106023358
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide?
The IUPAC name of 5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide (CID 18372741) is 5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide?
The canonical SMILES for 5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide is COc1c(S(=O)(=O)NCc2ccc(Cl)cc2)cc(Br)c2ccc(C)nc12.
What is the InChIKey of 5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide?
The InChIKey is YTVYDVXGXHQHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN2O3S/c1-11-3-8-14-15(19)9-16(18(25-2)17(14)22-11)26(23,24)21-10-12-4-6-13(20)7-5-12/h3-9,21H,10H2,1-2H3.
What are the key properties of 5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide?
5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide has a molecular weight of 455.76 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide is sourced from PubChem (CID 18372741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).