N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide

C18H16FNO2S — CID 86061932

IUPACN-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(F)c3ccccc23)c1C
InChIInChI=1S/C18H16FNO2S/c1-12-6-5-9-17(13(12)2)20-23(21,22)18-11-10-16(19)14-7-3-4-8-15(14)18/h3-11,20H,1-2H3
InChIKeyZGCMFMURHZRGDR-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.40
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide

N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide (PubChem CID 86061932) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide
PubChem CID86061932
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC NameN-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(F)c3ccccc23)c1C
InChIInChI=1S/C18H16FNO2S/c1-12-6-5-9-17(13(12)2)20-23(21,22)18-11-10-16(19)14-7-3-4-8-15(14)18/h3-11,20H,1-2H3
InChIKeyZGCMFMURHZRGDR-UHFFFAOYSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 62057436
N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
CID 26952276
4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride
CID 67985273
3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 107343733
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717477
N-(3-amino-2-methylphenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43605104
4-hydroxy-1-N,3-N-bis(2-methylphenyl)naphthalene-1,3-disulfonamide
CID 86634478
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
5-amino-N-(3-bromo-2-methylphenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624447
N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide
CID 21210098

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide (CID 86061932) is N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(F)c3ccccc23)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide?
The InChIKey is ZGCMFMURHZRGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c1-12-6-5-9-17(13(12)2)20-23(21,22)18-11-10-16(19)14-7-3-4-8-15(14)18/h3-11,20H,1-2H3.
What are the key properties of N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide?
N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide has a molecular weight of 329.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide is sourced from PubChem (CID 86061932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).