N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide

C22H19IN2O3S — CID 17320464

IUPACN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1cccc(I)c1
InChIInChI=1S/C22H19IN2O3S/c23-18-8-3-6-17(15-18)22(26)24-19-10-12-20(13-11-19)29(27,28)25-14-4-7-16-5-1-2-9-21(16)25/h1-3,5-6,8-13,15H,4,7,14H2,(H,24,26)
InChIKeyVIUDQZNEUGNWQP-UHFFFAOYSA-N
MW518.38 g/mol
LogP4.68
Rot. Bonds4

About N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide

N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide (PubChem CID 17320464) has the molecular formula C22H19IN2O3S and a molecular weight of 518.38 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
PubChem CID17320464
Molecular FormulaC22H19IN2O3S
Molecular Weight518.38 g/mol
Exact Mass518.02
IUPAC NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1cccc(I)c1
InChIInChI=1S/C22H19IN2O3S/c23-18-8-3-6-17(15-18)22(26)24-19-10-12-20(13-11-19)29(27,28)25-14-4-7-16-5-1-2-9-21(16)25/h1-3,5-6,8-13,15H,4,7,14H2,(H,24,26)
InChIKeyVIUDQZNEUGNWQP-UHFFFAOYSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide
CID 17320225
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16548505
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
CID 17320187
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 22583370
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
CID 18584172
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557757
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenoxy]-N-(4-iodophenyl)acetamide
CID 126392373
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridin-2-ylbenzamide
CID 25102342

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide (CID 17320464) is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1cccc(I)c1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide?
The InChIKey is VIUDQZNEUGNWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19IN2O3S/c23-18-8-3-6-17(15-18)22(26)24-19-10-12-20(13-11-19)29(27,28)25-14-4-7-16-5-1-2-9-21(16)25/h1-3,5-6,8-13,15H,4,7,14H2,(H,24,26).
What are the key properties of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide?
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide has a molecular weight of 518.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide is sourced from PubChem (CID 17320464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).