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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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).