N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide

C16H11ClFNO2S — CID 91026352

IUPACN-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H11ClFNO2S/c17-11-4-3-5-12(10-11)19-22(20,21)16-9-8-15(18)13-6-1-2-7-14(13)16/h1-10,19H
InChIKeyKWHLRCLHAYCZOP-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.43
Rot. Bonds3

About N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide

N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide (PubChem CID 91026352) has the molecular formula C16H11ClFNO2S and a molecular weight of 335.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide
PubChem CID91026352
Molecular FormulaC16H11ClFNO2S
Molecular Weight335.79 g/mol
Exact Mass335.02
IUPAC NameN-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H11ClFNO2S/c17-11-4-3-5-12(10-11)19-22(20,21)16-9-8-15(18)13-6-1-2-7-14(13)16/h1-10,19H
InChIKeyKWHLRCLHAYCZOP-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide (CID 91026352) is N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1ccc(F)c2ccccc12.
What is the InChIKey of N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide?
The InChIKey is KWHLRCLHAYCZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2S/c17-11-4-3-5-12(10-11)19-22(20,21)16-9-8-15(18)13-6-1-2-7-14(13)16/h1-10,19H.
What are the key properties of N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide?
N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide 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 N-(3-chlorophenyl)-4-fluoronaphthalene-1-sulfonamide is sourced from PubChem (CID 91026352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).