3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide

C16H11ClFNO2S — CID 59533991

IUPAC3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1cc(F)cc(Cl)c1
InChIInChI=1S/C16H11ClFNO2S/c17-12-8-13(18)10-14(9-12)22(20,21)19-16-7-3-5-11-4-1-2-6-15(11)16/h1-10,19H
InChIKeyKJVXSVVVGPZXLZ-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.43
Rot. Bonds3

About 3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide

3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 59533991) has the molecular formula C16H11ClFNO2S and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID59533991
Molecular FormulaC16H11ClFNO2S
Molecular Weight335.79 g/mol
Exact Mass335.02
IUPAC Name3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1cc(F)cc(Cl)c1
InChIInChI=1S/C16H11ClFNO2S/c17-12-8-13(18)10-14(9-12)22(20,21)19-16-7-3-5-11-4-1-2-6-15(11)16/h1-10,19H
InChIKeyKJVXSVVVGPZXLZ-UHFFFAOYSA-N
XLogP4.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
3,5-dichloro-N-(5-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 58496706
N-(2,3-dichlorophenyl)-3,5-difluorobenzenesulfonamide
CID 92510677
2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
CID 70133318
3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
CID 30285558
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879
3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
3,5-dichloro-N-(5-propanoylnaphthalen-1-yl)benzenesulfonamide
CID 58496889
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
3,5-dichloro-N-isoquinolin-1-ylbenzenesulfonamide
CID 3792494
5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane
CID 159593175
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide (CID 59533991) is 3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide is O=S(=O)(Nc1cccc2ccccc12)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is KJVXSVVVGPZXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2S/c17-12-8-13(18)10-14(9-12)22(20,21)19-16-7-3-5-11-4-1-2-6-15(11)16/h1-10,19H.
What are the key properties of 3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide?
3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 335.79 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 59533991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).