4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide

C20H18ClFN2O3S — CID 979809

IUPAC4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H18ClFN2O3S/c21-16-3-10-20(27-13-14-1-4-17(22)5-2-14)15(11-16)12-24-18-6-8-19(9-7-18)28(23,25)26/h1-11,24H,12-13H2,(H2,23,25,26)
InChIKeyXBTZIZHOWTUCKT-UHFFFAOYSA-N
MW420.89 g/mol
LogP4.32
Rot. Bonds7

About 4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide

4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide (PubChem CID 979809) has the molecular formula C20H18ClFN2O3S and a molecular weight of 420.89 g/mol. Its IUPAC name is 4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
PubChem CID979809
Molecular FormulaC20H18ClFN2O3S
Molecular Weight420.89 g/mol
Exact Mass420.07
IUPAC Name4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H18ClFN2O3S/c21-16-3-10-20(27-13-14-1-4-17(22)5-2-14)15(11-16)12-24-18-6-8-19(9-7-18)28(23,25)26/h1-11,24H,12-13H2,(H2,23,25,26)
InChIKeyXBTZIZHOWTUCKT-UHFFFAOYSA-N
XLogP4.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Fenasulam
CID 12923188
N-[4-({[2-(4-chloro-2-methylphenoxy)ethyl]amino}sulfonyl)phenyl]acetamide
CID 607667
4-({2-[(2-Fluorobenzyl)oxy]benzyl}amino)benzenesulfonamide
CID 979802
4-({2-[(2-Fluorobenzyl)oxy]-3-methoxybenzyl}amino)benzenesulfonamide
CID 979804
(5-Chloro-2-propoxybenzyl)phenylamine
CID 2194466
4-[(7-Chloro-2-oxo-2H-chromen-4-ylmethyl)-amino]-3-fluoro-benzenesulfonamide
CID 44373669
4-chloro-N-(1-(2-(3-(diethylamino)propoxy)phenyl)ethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 44414662
4-chloro-N-phenyl-N-(1-(2-(3-(pyrrolidin-1-yl)propoxy)phenyl)ethyl)benzenesulfonamide
CID 44414686
4-chloro-N-(3-chlorophenyl)-N-(1-(2-(3-(pyrrolidin-1-yl)propoxy)phenyl)ethyl)benzenesulfonamide
CID 44414698
1-[2-(4-chloro-2-methylphenoxy)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylmethanamine
CID 44455589
4-[(4-Phenylmethoxyphenyl)methylamino]benzenesulfonamide
CID 49929067
N-[4-[[4-(4-chloro-3-fluorophenoxy)-3-cyanophenyl]sulfamoyl]phenyl]acetamide
CID 137642017

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
The IUPAC name of 4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide (CID 979809) is 4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
The canonical SMILES for 4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
The InChIKey is XBTZIZHOWTUCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O3S/c21-16-3-10-20(27-13-14-1-4-17(22)5-2-14)15(11-16)12-24-18-6-8-19(9-7-18)28(23,25)26/h1-11,24H,12-13H2,(H2,23,25,26).
What are the key properties of 4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide has a molecular weight of 420.89 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 979809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).