N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide

C23H18FNO2S — CID 134904218

IUPACN-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc(F)cc1)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H18FNO2S/c24-19-15-13-18(14-16-19)23(25-28(26,27)20-9-2-1-3-10-20)22-12-6-8-17-7-4-5-11-21(17)22/h1-16,23,25H
InChIKeyGFLHWWBCUGHFFY-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.05
Rot. Bonds5

About N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide

N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide (PubChem CID 134904218) has the molecular formula C23H18FNO2S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide
PubChem CID134904218
Molecular FormulaC23H18FNO2S
Molecular Weight391.47 g/mol
Exact Mass391.10
IUPAC NameN-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccc(F)cc1)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C23H18FNO2S/c24-19-15-13-18(14-16-19)23(25-28(26,27)20-9-2-1-3-10-20)22-12-6-8-17-7-4-5-11-21(17)22/h1-16,23,25H
InChIKeyGFLHWWBCUGHFFY-UHFFFAOYSA-N
XLogP5.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide (CID 134904218) is N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide is O=S(=O)(NC(c1ccc(F)cc1)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide?
The InChIKey is GFLHWWBCUGHFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2S/c24-19-15-13-18(14-16-19)23(25-28(26,27)20-9-2-1-3-10-20)22-12-6-8-17-7-4-5-11-21(17)22/h1-16,23,25H.
What are the key properties of N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide?
N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-naphthalen-1-ylmethyl]benzenesulfonamide is sourced from PubChem (CID 134904218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).