N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide

C22H16N2O3S — CID 142723873

IUPACN-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)c1ccccc1)c1cccc2ncccc12
InChIInChI=1S/C22H16N2O3S/c25-22(18-10-6-13-19-17(18)11-7-15-23-19)24-20-12-4-5-14-21(20)28(26,27)16-8-2-1-3-9-16/h1-15H,(H,24,25)
InChIKeyBIBQNOXOBSXIHG-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.32
Rot. Bonds4

About N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide

N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide (PubChem CID 142723873) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide
PubChem CID142723873
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC NameN-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide
SMILESO=C(Nc1ccccc1S(=O)(=O)c1ccccc1)c1cccc2ncccc12
InChIInChI=1S/C22H16N2O3S/c25-22(18-10-6-13-19-17(18)11-7-15-23-19)24-20-12-4-5-14-21(20)28(26,27)16-8-2-1-3-9-16/h1-15H,(H,24,25)
InChIKeyBIBQNOXOBSXIHG-UHFFFAOYSA-N
XLogP4.32
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide
CID 43040079
4-(benzenesulfonyl)quinoline
CID 170993168
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 55342888
4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide
CID 42534314
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
N-quinolin-5-yl-2-(trifluoromethyl)benzamide
CID 26242319
N-(3-amino-4-pyridinyl)quinoline-5-carboxamide
CID 63062942
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride
CID 140973464
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide?
The IUPAC name of N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide (CID 142723873) is N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide is O=C(Nc1ccccc1S(=O)(=O)c1ccccc1)c1cccc2ncccc12.
What is the InChIKey of N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide?
The InChIKey is BIBQNOXOBSXIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S/c25-22(18-10-6-13-19-17(18)11-7-15-23-19)24-20-12-4-5-14-21(20)28(26,27)16-8-2-1-3-9-16/h1-15H,(H,24,25).
What are the key properties of N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide?
N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide is sourced from PubChem (CID 142723873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).