N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide

C28H26FNO4S — CID 6737244

IUPACN-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1cccc(F)c1
InChIInChI=1S/C28H26FNO4S/c29-25-12-7-13-26(19-25)35(31,32)30-17-16-22-14-15-27(33-20-23-8-3-1-4-9-23)28(18-22)34-21-24-10-5-2-6-11-24/h1-15,18-19,30H,16-17,20-21H2
InChIKeyRPQPEJQITFJELN-UHFFFAOYSA-N
MW491.58 g/mol
LogP5.50
Rot. Bonds11

About N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide

N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide (PubChem CID 6737244) has the molecular formula C28H26FNO4S and a molecular weight of 491.58 g/mol. Its IUPAC name is N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide
PubChem CID6737244
Molecular FormulaC28H26FNO4S
Molecular Weight491.58 g/mol
Exact Mass491.16
IUPAC NameN-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1cccc(F)c1
InChIInChI=1S/C28H26FNO4S/c29-25-12-7-13-26(19-25)35(31,32)30-17-16-22-14-15-27(33-20-23-8-3-1-4-9-23)28(18-22)34-21-24-10-5-2-6-11-24/h1-15,18-19,30H,16-17,20-21H2
InChIKeyRPQPEJQITFJELN-UHFFFAOYSA-N
XLogP5.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.58
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11978994
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 55353251
5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 57430151
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-propylbenzenesulfonamide
CID 59191207
3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 26545327
3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 28534651
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
N-[2-[4-(3-fluorobenzoyl)phenyl]ethyl]benzenesulfonamide
CID 174893416
N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
CID 109064976

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide (CID 6737244) is N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1cccc(F)c1.
What is the InChIKey of N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is RPQPEJQITFJELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FNO4S/c29-25-12-7-13-26(19-25)35(31,32)30-17-16-22-14-15-27(33-20-23-8-3-1-4-9-23)28(18-22)34-21-24-10-5-2-6-11-24/h1-15,18-19,30H,16-17,20-21H2.
What are the key properties of N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide?
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 491.58 g/mol, XLogP of 5.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 6737244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).