3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide

C24H22N2O4S — CID 56925645

IUPAC3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cnc3ccccc3c2)c2ccccc2)cc1OC
InChIInChI=1S/C24H22N2O4S/c1-29-23-13-12-21(15-24(23)30-2)31(27,28)26(20-9-4-3-5-10-20)17-18-14-19-8-6-7-11-22(19)25-16-18/h3-16H,17H2,1-2H3
InChIKeyPQQFUBIYEHMFBO-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.65
Rot. Bonds7

About 3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide

3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide (PubChem CID 56925645) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
PubChem CID56925645
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cnc3ccccc3c2)c2ccccc2)cc1OC
InChIInChI=1S/C24H22N2O4S/c1-29-23-13-12-21(15-24(23)30-2)31(27,28)26(20-9-4-3-5-10-20)17-18-14-19-8-6-7-11-22(19)25-16-18/h3-16H,17H2,1-2H3
InChIKeyPQQFUBIYEHMFBO-UHFFFAOYSA-N
XLogP4.65
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide (CID 56925645) is 3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(Cc2cnc3ccccc3c2)c2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
The InChIKey is PQQFUBIYEHMFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-29-23-13-12-21(15-24(23)30-2)31(27,28)26(20-9-4-3-5-10-20)17-18-14-19-8-6-7-11-22(19)25-16-18/h3-16H,17H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide?
3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-phenyl-N-(quinolin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 56925645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).