N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide

C17H14FNO2S — CID 132500915

IUPACN-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3ccc(F)cc3c2)cc1
InChIInChI=1S/C17H14FNO2S/c1-12-2-8-17(9-3-12)22(20,21)19-16-7-5-13-4-6-15(18)10-14(13)11-16/h2-11,19H,1H3
InChIKeyZUJDOVKNHTWJID-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.09
Rot. Bonds3

About N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide

N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide (PubChem CID 132500915) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
PubChem CID132500915
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC NameN-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3ccc(F)cc3c2)cc1
InChIInChI=1S/C17H14FNO2S/c1-12-2-8-17(9-3-12)22(20,21)19-16-7-5-13-4-6-15(18)10-14(13)11-16/h2-11,19H,1H3
InChIKeyZUJDOVKNHTWJID-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide
CID 112988985
4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943761
4-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzenesulfonamide
CID 110428026
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46375053
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
[2-fluoro-5-[(4-methylphenyl)sulfonylamino]phenyl]boronic acid
CID 169371107
[3-fluoro-5-[(4-methylphenyl)sulfonylamino]phenyl]boronic acid
CID 169371654
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide (CID 132500915) is N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3ccc(F)cc3c2)cc1.
What is the InChIKey of N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is ZUJDOVKNHTWJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-12-2-8-17(9-3-12)22(20,21)19-16-7-5-13-4-6-15(18)10-14(13)11-16/h2-11,19H,1H3.
What are the key properties of N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide?
N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 315.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoronaphthalen-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 132500915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).