N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide

C23H18N2O4S — CID 993440

IUPACN-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H18N2O4S/c1-29-20-14-12-19(13-15-20)25(23(26)18-7-3-2-4-8-18)30(27,28)21-11-5-9-17-10-6-16-24-22(17)21/h2-16H,1H3
InChIKeyYJRQANZNFMMCQW-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.28
Rot. Bonds5

About N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide

N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide (PubChem CID 993440) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide
PubChem CID993440
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC NameN-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H18N2O4S/c1-29-20-14-12-19(13-15-20)25(23(26)18-7-3-2-4-8-18)30(27,28)21-11-5-9-17-10-6-16-24-22(17)21/h2-16H,1H3
InChIKeyYJRQANZNFMMCQW-UHFFFAOYSA-N
XLogP4.28
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide?
The IUPAC name of N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide (CID 993440) is N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide is COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide?
The InChIKey is YJRQANZNFMMCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S/c1-29-20-14-12-19(13-15-20)25(23(26)18-7-3-2-4-8-18)30(27,28)21-11-5-9-17-10-6-16-24-22(17)21/h2-16H,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide?
N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide has a molecular weight of 418.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbenzamide is sourced from PubChem (CID 993440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).