4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide

C20H19N3O4S — CID 26123616

IUPAC4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H19N3O4S/c24-20(22-18-5-1-3-15-4-2-10-21-19(15)18)16-6-8-17(9-7-16)28(25,26)23-11-13-27-14-12-23/h1-10H,11-14H2,(H,22,24)
InChIKeyXKMQWAUZPBYTPN-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.51
Rot. Bonds4

About 4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide

4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide (PubChem CID 26123616) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
PubChem CID26123616
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H19N3O4S/c24-20(22-18-5-1-3-15-4-2-10-21-19(15)18)16-6-8-17(9-7-16)28(25,26)23-11-13-27-14-12-23/h1-10H,11-14H2,(H,22,24)
InChIKeyXKMQWAUZPBYTPN-UHFFFAOYSA-N
XLogP2.51
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide
CID 42906884
4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068510
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
CID 9451230
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31542150
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 3192941
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 100679235
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide (CID 26123616) is 4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide?
The InChIKey is XKMQWAUZPBYTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c24-20(22-18-5-1-3-15-4-2-10-21-19(15)18)16-6-8-17(9-7-16)28(25,26)23-11-13-27-14-12-23/h1-10H,11-14H2,(H,22,24).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide?
4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide has a molecular weight of 397.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 26123616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).