4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide

C22H17ClN2O3S — CID 19769793

IUPAC4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c2ncccc2c1
InChIInChI=1S/C22H17ClN2O3S/c1-15-13-16-3-2-12-24-22(16)21(14-15)28-19-8-6-18(7-9-19)25-29(26,27)20-10-4-17(23)5-11-20/h2-14,25H,1H3
InChIKeyJWQCKMVQLQLTJX-UHFFFAOYSA-N
MW424.91 g/mol
LogP5.79
Rot. Bonds5

About 4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide

4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide (PubChem CID 19769793) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide
PubChem CID19769793
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC Name4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c2ncccc2c1
InChIInChI=1S/C22H17ClN2O3S/c1-15-13-16-3-2-12-24-22(16)21(14-15)28-19-8-6-18(7-9-19)25-29(26,27)20-10-4-17(23)5-11-20/h2-14,25H,1H3
InChIKeyJWQCKMVQLQLTJX-UHFFFAOYSA-N
XLogP5.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.91
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide
CID 67931068
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
CID 14127632
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370059
4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide
CID 110715588
N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370063
4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 40677099
6-chloro-N-(3-methyl-4-naphthalen-2-yloxyphenyl)pyridine-3-sulfonamide
CID 142036672
4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309687

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide (CID 19769793) is 4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide is Cc1cc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c2ncccc2c1.
What is the InChIKey of 4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is JWQCKMVQLQLTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c1-15-13-16-3-2-12-24-22(16)21(14-15)28-19-8-6-18(7-9-19)25-29(26,27)20-10-4-17(23)5-11-20/h2-14,25H,1H3.
What are the key properties of 4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide?
4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 424.91 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 19769793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).