5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide

C26H23ClN4O6S2 — CID 22495926

IUPAC5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H23ClN4O6S2/c27-19-6-11-23(30-38(33,34)24-5-1-3-18-4-2-12-28-25(18)24)22(17-19)26(32)29-20-7-9-21(10-8-20)39(35,36)31-13-15-37-16-14-31/h1-12,17,30H,13-16H2,(H,29,32)
InChIKeyYBKFUDGUHIAHQO-UHFFFAOYSA-N
MW587.08 g/mol
LogP3.96
Rot. Bonds7

About 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide

5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 22495926) has the molecular formula C26H23ClN4O6S2 and a molecular weight of 587.08 g/mol. Its IUPAC name is 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID22495926
Molecular FormulaC26H23ClN4O6S2
Molecular Weight587.08 g/mol
Exact Mass586.07
IUPAC Name5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H23ClN4O6S2/c27-19-6-11-23(30-38(33,34)24-5-1-3-18-4-2-12-28-25(18)24)22(17-19)26(32)29-20-7-9-21(10-8-20)39(35,36)31-13-15-37-16-14-31/h1-12,17,30H,13-16H2,(H,29,32)
InChIKeyYBKFUDGUHIAHQO-UHFFFAOYSA-N
XLogP3.96
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.08
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 22495967
2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 18328751
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123616
5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 22495963
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
2-ethoxy-N-(4-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 4827304
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
N-[4-[4-(2,4-dichlorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634934

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide (CID 22495926) is 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is YBKFUDGUHIAHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O6S2/c27-19-6-11-23(30-38(33,34)24-5-1-3-18-4-2-12-28-25(18)24)22(17-19)26(32)29-20-7-9-21(10-8-20)39(35,36)31-13-15-37-16-14-31/h1-12,17,30H,13-16H2,(H,29,32).
What are the key properties of 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 587.08 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 22495926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).