N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide

C23H20N2O4S2 — CID 132565670

IUPACN-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c2cccnc12
InChIInChI=1S/C23H20N2O4S2/c1-18-14-15-19(22-13-8-16-24-23(18)22)17-25(30(26,27)20-9-4-2-5-10-20)31(28,29)21-11-6-3-7-12-21/h2-16H,17H2,1H3
InChIKeyJVVUCJNJAKFZPT-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.12
Rot. Bonds6

About N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide

N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide (PubChem CID 132565670) has the molecular formula C23H20N2O4S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide
PubChem CID132565670
Molecular FormulaC23H20N2O4S2
Molecular Weight452.56 g/mol
Exact Mass452.09
IUPAC NameN-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c2cccnc12
InChIInChI=1S/C23H20N2O4S2/c1-18-14-15-19(22-13-8-16-24-23(18)22)17-25(30(26,27)20-9-4-2-5-10-20)31(28,29)21-11-6-3-7-12-21/h2-16H,17H2,1H3
InChIKeyJVVUCJNJAKFZPT-UHFFFAOYSA-N
XLogP4.12
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide (CID 132565670) is N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide is Cc1ccc(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c2cccnc12.
What is the InChIKey of N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide?
The InChIKey is JVVUCJNJAKFZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S2/c1-18-14-15-19(22-13-8-16-24-23(18)22)17-25(30(26,27)20-9-4-2-5-10-20)31(28,29)21-11-6-3-7-12-21/h2-16H,17H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide?
N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide has a molecular weight of 452.56 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 132565670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).