4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide

C20H19N3O3S — CID 26123612

IUPAC4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H19N3O3S/c24-20(22-18-7-3-5-15-6-4-12-21-19(15)18)16-8-10-17(11-9-16)27(25,26)23-13-1-2-14-23/h3-12H,1-2,13-14H2,(H,22,24)
InChIKeyXMDWCEXHZNFQMZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.27
Rot. Bonds4

About 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide

4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide (PubChem CID 26123612) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
PubChem CID26123612
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H19N3O3S/c24-20(22-18-7-3-5-15-6-4-12-21-19(15)18)16-8-10-17(11-9-16)27(25,26)23-13-1-2-14-23/h3-12H,1-2,13-14H2,(H,22,24)
InChIKeyXMDWCEXHZNFQMZ-UHFFFAOYSA-N
XLogP3.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123616
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
CID 9451230
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide
CID 42906884
N-isoquinolin-5-yl-4-piperidin-1-ylsulfonylbenzamide
CID 8763187
4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55661532
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 3192941
4-(azepan-1-ylsulfonyl)-N-[3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-pyridinyl]benzamide
CID 3404667
4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31542150
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123137
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide (CID 26123612) is 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide?
The InChIKey is XMDWCEXHZNFQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c24-20(22-18-7-3-5-15-6-4-12-21-19(15)18)16-8-10-17(11-9-16)27(25,26)23-13-1-2-14-23/h3-12H,1-2,13-14H2,(H,22,24).
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide?
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide has a molecular weight of 381.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 26123612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).