4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide

C16H13IN2O2S — CID 66485889

IUPAC4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1I
InChIInChI=1S/C16H13IN2O2S/c1-11-8-14(6-7-15(11)17)22(20,21)19-13-9-12-4-2-3-5-16(12)18-10-13/h2-10,19H,1H3
InChIKeyGRCSPKQJHORKLM-UHFFFAOYSA-N
MW424.26 g/mol
LogP3.95
Rot. Bonds3

About 4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide

4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide (PubChem CID 66485889) has the molecular formula C16H13IN2O2S and a molecular weight of 424.26 g/mol. Its IUPAC name is 4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide
PubChem CID66485889
Molecular FormulaC16H13IN2O2S
Molecular Weight424.26 g/mol
Exact Mass423.97
IUPAC Name4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1I
InChIInChI=1S/C16H13IN2O2S/c1-11-8-14(6-7-15(11)17)22(20,21)19-13-9-12-4-2-3-5-16(12)18-10-13/h2-10,19H,1H3
InChIKeyGRCSPKQJHORKLM-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'}

Analyze 4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
2,3,4,5,6-pentamethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3863946
4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide
CID 110730295
2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide
CID 3397127
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
CID 169371631
4-[(4-iodo-3-methylphenyl)sulfonylamino]benzoic acid
CID 71671368
4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 71671396
5-cyano-N-quinolin-3-ylthiophene-2-sulfonamide
CID 106268092
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3814344

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of 4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide (CID 66485889) is 4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1I.
What is the InChIKey of 4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is GRCSPKQJHORKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O2S/c1-11-8-14(6-7-15(11)17)22(20,21)19-13-9-12-4-2-3-5-16(12)18-10-13/h2-10,19H,1H3.
What are the key properties of 4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide?
4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide 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 4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 66485889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).