3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide

C17H14INO2S — CID 177279924

IUPAC3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1I
InChIInChI=1S/C17H14INO2S/c1-12-9-10-14(11-16(12)18)22(20,21)19-17-8-4-6-13-5-2-3-7-15(13)17/h2-11,19H,1H3
InChIKeyFYTOUHXWEUPUCQ-UHFFFAOYSA-N
MW423.28 g/mol
LogP4.55
Rot. Bonds3

About 3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide

3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 177279924) has the molecular formula C17H14INO2S and a molecular weight of 423.28 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID177279924
Molecular FormulaC17H14INO2S
Molecular Weight423.28 g/mol
Exact Mass422.98
IUPAC Name3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1I
InChIInChI=1S/C17H14INO2S/c1-12-9-10-14(11-16(12)18)22(20,21)19-17-8-4-6-13-5-2-3-7-15(13)17/h2-11,19H,1H3
InChIKeyFYTOUHXWEUPUCQ-UHFFFAOYSA-N
XLogP4.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
CID 30285558
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
N-(2-iodophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 563423
3-iodo-N,4-dimethylbenzenesulfonamide
CID 2817416
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide
CID 25208731
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879
methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
CID 1149220
3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 59533991
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide (CID 177279924) is 3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1I.
What is the InChIKey of 3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is FYTOUHXWEUPUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14INO2S/c1-12-9-10-14(11-16(12)18)22(20,21)19-17-8-4-6-13-5-2-3-7-15(13)17/h2-11,19H,1H3.
What are the key properties of 3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide?
3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 423.28 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 177279924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).