N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide

C21H20FNO3S — CID 90518568

IUPACN-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20FNO3S/c22-19-11-13-20(14-12-19)26-15-16-27(24,25)23-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,23H,15-16H2
InChIKeyQOHPBOYWTLKPFG-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.91
Rot. Bonds8

About N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide

N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide (PubChem CID 90518568) has the molecular formula C21H20FNO3S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide
PubChem CID90518568
Molecular FormulaC21H20FNO3S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC NameN-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20FNO3S/c22-19-11-13-20(14-12-19)26-15-16-27(24,25)23-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,23H,15-16H2
InChIKeyQOHPBOYWTLKPFG-UHFFFAOYSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35295897
N-benzhydryl-2-hydroxyethanesulfonamide
CID 79589039
N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518427
2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide
CID 90518656
N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518586
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518502
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide
CID 90518426
2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
CID 110299951
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
N-benzhydryl-1-chloromethanesulfonamide
CID 63664660
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
(2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide
CID 99843822

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide?
The IUPAC name of N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide (CID 90518568) is N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide.
What is the SMILES notation for N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide?
The canonical SMILES for N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide is O=S(=O)(CCOc1ccc(F)cc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide?
The InChIKey is QOHPBOYWTLKPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S/c22-19-11-13-20(14-12-19)26-15-16-27(24,25)23-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21,23H,15-16H2.
What are the key properties of N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide?
N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide has a molecular weight of 385.46 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide is sourced from PubChem (CID 90518568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).