N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide

C22H23N3O3S — CID 122277641

IUPACN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
SMILESO=c1cc2c(nn1CCNS(=O)(=O)c1ccc(-c3ccccc3)cc1)CCCC2
InChIInChI=1S/C22H23N3O3S/c26-22-16-19-8-4-5-9-21(19)24-25(22)15-14-23-29(27,28)20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-3,6-7,10-13,16,23H,4-5,8-9,14-15H2
InChIKeyQKKNIZHXQZLJGN-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide

N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide (PubChem CID 122277641) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
PubChem CID122277641
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide
SMILESO=c1cc2c(nn1CCNS(=O)(=O)c1ccc(-c3ccccc3)cc1)CCCC2
InChIInChI=1S/C22H23N3O3S/c26-22-16-19-8-4-5-9-21(19)24-25(22)15-14-23-29(27,28)20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-3,6-7,10-13,16,23H,4-5,8-9,14-15H2
InChIKeyQKKNIZHXQZLJGN-UHFFFAOYSA-N
XLogP2.77
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-nitro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzenesulfonamide
CID 122277638
methyl 4-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethylsulfamoyl]benzoate
CID 122162346
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]pyridine-3-sulfonamide
CID 122280910
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122280926
3,5-difluoro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzenesulfonamide
CID 122280969
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277144
4-ethoxy-3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzenesulfonamide
CID 122277709
N-[4-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethylsulfamoyl]phenyl]butanamide
CID 122280937
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-phenylbenzenesulfonamide
CID 122278224
11-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 122277722
2-[2-(dimethylsulfamoylamino)ethyl]-3-oxo-5,6,7,8-tetrahydrocinnoline
CID 122277609
2-methyl-5-nitro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzenesulfonamide
CID 122277639

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide (CID 122277641) is N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide is O=c1cc2c(nn1CCNS(=O)(=O)c1ccc(-c3ccccc3)cc1)CCCC2.
What is the InChIKey of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is QKKNIZHXQZLJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-22-16-19-8-4-5-9-21(19)24-25(22)15-14-23-29(27,28)20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-3,6-7,10-13,16,23H,4-5,8-9,14-15H2.
What are the key properties of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide?
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 122277641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).