7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide

C17H14BrClN2O3S — CID 168991112

IUPAC7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cnc3cc(Br)ccc3c2Cl)cc1
InChIInChI=1S/C17H14BrClN2O3S/c1-24-13-5-2-11(3-6-13)9-21-25(22,23)16-10-20-15-8-12(18)4-7-14(15)17(16)19/h2-8,10,21H,9H2,1H3
InChIKeyAHMUVIHETLOIRN-UHFFFAOYSA-N
MW441.73 g/mol
LogP4.14
Rot. Bonds5

About 7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide

7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide (PubChem CID 168991112) has the molecular formula C17H14BrClN2O3S and a molecular weight of 441.73 g/mol. Its IUPAC name is 7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide.

Molecular Properties

Compound Name7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide
PubChem CID168991112
Molecular FormulaC17H14BrClN2O3S
Molecular Weight441.73 g/mol
Exact Mass439.96
IUPAC Name7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cnc3cc(Br)ccc3c2Cl)cc1
InChIInChI=1S/C17H14BrClN2O3S/c1-24-13-5-2-11(3-6-13)9-21-25(22,23)16-10-20-15-8-12(18)4-7-14(15)17(16)19/h2-8,10,21H,9H2,1H3
InChIKeyAHMUVIHETLOIRN-UHFFFAOYSA-N
XLogP4.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.73
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
5-amino-2-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 65202378
5-bromo-N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
CID 66546898
4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110678457
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
CID 164934777
6-chloro-N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-amine
CID 18560312
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 32681146
5-bromo-N-[(4-chlorophenyl)methyl]-8-methoxy-2-methylquinoline-7-sulfonamide
CID 18372741
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide?
The IUPAC name of 7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide (CID 168991112) is 7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide.
What is the SMILES notation for 7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide?
The canonical SMILES for 7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide is COc1ccc(CNS(=O)(=O)c2cnc3cc(Br)ccc3c2Cl)cc1.
What is the InChIKey of 7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide?
The InChIKey is AHMUVIHETLOIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O3S/c1-24-13-5-2-11(3-6-13)9-21-25(22,23)16-10-20-15-8-12(18)4-7-14(15)17(16)19/h2-8,10,21H,9H2,1H3.
What are the key properties of 7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide?
7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide has a molecular weight of 441.73 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-N-[(4-methoxyphenyl)methyl]quinoline-3-sulfonamide is sourced from PubChem (CID 168991112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).