N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide

C16H13IN2O2S — CID 31690873

IUPACN-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3cccc(I)c3)cccc2c1
InChIInChI=1S/C16H13IN2O2S/c1-11-8-12-4-2-7-15(16(12)18-10-11)22(20,21)19-14-6-3-5-13(17)9-14/h2-10,19H,1H3
InChIKeyHTIIAASGEPYSOH-UHFFFAOYSA-N
MW424.26 g/mol
LogP3.95
Rot. Bonds3

About N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide

N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide (PubChem CID 31690873) has the molecular formula C16H13IN2O2S and a molecular weight of 424.26 g/mol. Its IUPAC name is N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
PubChem CID31690873
Molecular FormulaC16H13IN2O2S
Molecular Weight424.26 g/mol
Exact Mass423.97
IUPAC NameN-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3cccc(I)c3)cccc2c1
InChIInChI=1S/C16H13IN2O2S/c1-11-8-12-4-2-7-15(16(12)18-10-11)22(20,21)19-14-6-3-5-13(17)9-14/h2-10,19H,1H3
InChIKeyHTIIAASGEPYSOH-UHFFFAOYSA-N
XLogP3.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 53.95
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-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046446
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759
N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide
CID 31046434
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
CID 25333424
N-(2-methoxy-3-pyridinyl)-3-methylquinoline-8-sulfonamide
CID 47038312
N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide
CID 30746930
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide (CID 31690873) is N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)Nc3cccc(I)c3)cccc2c1.
What is the InChIKey of N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is HTIIAASGEPYSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O2S/c1-11-8-12-4-2-7-15(16(12)18-10-11)22(20,21)19-14-6-3-5-13(17)9-14/h2-10,19H,1H3.
What are the key properties of N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide?
N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide has a molecular weight of 424.26 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 31690873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).