2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide

C16H10Cl2FNO2S — CID 3875086

IUPAC2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2ccccc12)c1ccc(F)cc1Cl
InChIInChI=1S/C16H10Cl2FNO2S/c17-13-6-7-15(12-4-2-1-3-11(12)13)20-23(21,22)16-8-5-10(19)9-14(16)18/h1-9,20H
InChIKeyGEVBRTRHZCIZFO-UHFFFAOYSA-N
MW370.23 g/mol
LogP5.09
Rot. Bonds3

About 2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide

2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide (PubChem CID 3875086) has the molecular formula C16H10Cl2FNO2S and a molecular weight of 370.23 g/mol. Its IUPAC name is 2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide
PubChem CID3875086
Molecular FormulaC16H10Cl2FNO2S
Molecular Weight370.23 g/mol
Exact Mass368.98
IUPAC Name2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2ccccc12)c1ccc(F)cc1Cl
InChIInChI=1S/C16H10Cl2FNO2S/c17-13-6-7-15(12-4-2-1-3-11(12)13)20-23(21,22)16-8-5-10(19)9-14(16)18/h1-9,20H
InChIKeyGEVBRTRHZCIZFO-UHFFFAOYSA-N
XLogP5.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.23
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254
N-(3-chloro-4-hydroxynaphthalen-1-yl)-5-fluoro-2-hydroxybenzenesulfonamide
CID 123345522
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
2-chloro-4-fluoro-N-(2-fluoro-4-sulfamoylphenyl)benzenesulfonamide
CID 60579083
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 3457821
2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
CID 70133318
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide (CID 3875086) is 2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c2ccccc12)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide?
The InChIKey is GEVBRTRHZCIZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FNO2S/c17-13-6-7-15(12-4-2-1-3-11(12)13)20-23(21,22)16-8-5-10(19)9-14(16)18/h1-9,20H.
What are the key properties of 2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide?
2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide has a molecular weight of 370.23 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloronaphthalen-1-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3875086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).