2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide

C27H24ClN3O4S — CID 141358125

IUPAC2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4cc3N3CCOCC3)c2)c(Cl)c1
InChIInChI=1S/C27H24ClN3O4S/c1-36(33,34)21-9-10-22(23(28)17-21)27(32)29-20-7-4-6-19(15-20)26-25(31-11-13-35-14-12-31)16-18-5-2-3-8-24(18)30-26/h2-10,15-17H,11-14H2,1H3,(H,29,32)
InChIKeyUBGWHJSNSUNQBH-UHFFFAOYSA-N
MW522.03 g/mol
LogP5.05
Rot. Bonds5

About 2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide

2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide (PubChem CID 141358125) has the molecular formula C27H24ClN3O4S and a molecular weight of 522.03 g/mol. Its IUPAC name is 2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
PubChem CID141358125
Molecular FormulaC27H24ClN3O4S
Molecular Weight522.03 g/mol
Exact Mass521.12
IUPAC Name2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4cc3N3CCOCC3)c2)c(Cl)c1
InChIInChI=1S/C27H24ClN3O4S/c1-36(33,34)21-9-10-22(23(28)17-21)27(32)29-20-7-4-6-19(15-20)26-25(31-11-13-35-14-12-31)16-18-5-2-3-8-24(18)30-26/h2-10,15-17H,11-14H2,1H3,(H,29,32)
InChIKeyUBGWHJSNSUNQBH-UHFFFAOYSA-N
XLogP5.05
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.03
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
CID 141358138
2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 1486987
2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide
CID 50914465
N-[3-(1-benzothiophen-2-yl)phenyl]-2-chloro-4-methylsulfonylbenzamide
CID 142392205
2-chloro-4-methylsulfonyl-N-[3-[6-(piperidin-1-ylmethyl)quinolin-2-yl]phenyl]benzamide
CID 74763695
2-chloro-N-(1-methylbenzimidazol-2-yl)-4-methylsulfonylbenzamide
CID 23938449
2-chloro-N-[3-[6-(diethylaminomethyl)quinolin-2-yl]phenyl]-4-methylsulfonylbenzamide
CID 74762772
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide
CID 2953562
2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522117
2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide (CID 141358125) is 2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide is CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4cc3N3CCOCC3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide?
The InChIKey is UBGWHJSNSUNQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O4S/c1-36(33,34)21-9-10-22(23(28)17-21)27(32)29-20-7-4-6-19(15-20)26-25(31-11-13-35-14-12-31)16-18-5-2-3-8-24(18)30-26/h2-10,15-17H,11-14H2,1H3,(H,29,32).
What are the key properties of 2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide?
2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide has a molecular weight of 522.03 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide is sourced from PubChem (CID 141358125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).