4-chloro-N-quinolin-5-ylsulfonylbenzamide

C16H11ClN2O3S — CID 154806109

IUPAC4-chloro-N-quinolin-5-ylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc2ncccc12)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O3S/c17-12-8-6-11(7-9-12)16(20)19-23(21,22)15-5-1-4-14-13(15)3-2-10-18-14/h1-10H,(H,19,20)
InChIKeyGZFRVPMBAINLOQ-UHFFFAOYSA-N
MW346.80 g/mol
LogP3.01
Rot. Bonds3

About 4-chloro-N-quinolin-5-ylsulfonylbenzamide

4-chloro-N-quinolin-5-ylsulfonylbenzamide (PubChem CID 154806109) has the molecular formula C16H11ClN2O3S and a molecular weight of 346.80 g/mol. Its IUPAC name is 4-chloro-N-quinolin-5-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-quinolin-5-ylsulfonylbenzamide
PubChem CID154806109
Molecular FormulaC16H11ClN2O3S
Molecular Weight346.80 g/mol
Exact Mass346.02
IUPAC Name4-chloro-N-quinolin-5-ylsulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc2ncccc12)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O3S/c17-12-8-6-11(7-9-12)16(20)19-23(21,22)15-5-1-4-14-13(15)3-2-10-18-14/h1-10H,(H,19,20)
InChIKeyGZFRVPMBAINLOQ-UHFFFAOYSA-N
XLogP3.01
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide
CID 26888649
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide
CID 86780686
2-(quinolin-5-ylsulfonylamino)oxyacetamide
CID 113451705
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
CID 51134356
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783
N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-quinolin-5-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-quinolin-5-ylsulfonylbenzamide (CID 154806109) is 4-chloro-N-quinolin-5-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-quinolin-5-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-quinolin-5-ylsulfonylbenzamide is O=C(NS(=O)(=O)c1cccc2ncccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-quinolin-5-ylsulfonylbenzamide?
The InChIKey is GZFRVPMBAINLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3S/c17-12-8-6-11(7-9-12)16(20)19-23(21,22)15-5-1-4-14-13(15)3-2-10-18-14/h1-10H,(H,19,20).
What are the key properties of 4-chloro-N-quinolin-5-ylsulfonylbenzamide?
4-chloro-N-quinolin-5-ylsulfonylbenzamide has a molecular weight of 346.80 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-quinolin-5-ylsulfonylbenzamide is sourced from PubChem (CID 154806109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).