2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide

C17H17F2NO4S — CID 142167238

IUPAC2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(-c2cc(F)cc(F)c2)cc1)NCCO
InChIInChI=1S/C17H17F2NO4S/c18-15-7-14(8-16(19)9-15)13-3-1-12(2-4-13)10-25(23,24)11-17(22)20-5-6-21/h1-4,7-9,21H,5-6,10-11H2,(H,20,22)
InChIKeyFNESMKZOEKZUPK-UHFFFAOYSA-N
MW369.39 g/mol
LogP1.66
Rot. Bonds7

About 2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide

2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 142167238) has the molecular formula C17H17F2NO4S and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
PubChem CID142167238
Molecular FormulaC17H17F2NO4S
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC Name2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(-c2cc(F)cc(F)c2)cc1)NCCO
InChIInChI=1S/C17H17F2NO4S/c18-15-7-14(8-16(19)9-15)13-3-1-12(2-4-13)10-25(23,24)11-17(22)20-5-6-21/h1-4,7-9,21H,5-6,10-11H2,(H,20,22)
InChIKeyFNESMKZOEKZUPK-UHFFFAOYSA-N
XLogP1.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
CID 10178679
ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide
CID 142167214
N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide
CID 10276555
2-[(4-aminophenyl)methylsulfonyl]-N-propylacetamide
CID 82178541
2-benzylsulfonyl-N-propylacetamide
CID 47155800
2-[(4-chlorophenyl)methylsulfonyl]-N-[3-(diethylamino)propyl]acetamide
CID 17225153
2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
CID 17225063
1-[(3,5-difluorophenyl)methylsulfonylmethyl]-3,5-difluorobenzene
CID 68587062
ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide
CID 142167262
N-(2-aminoethyl)-2-[(3-bromophenyl)methylsulfonyl]acetamide
CID 119384113
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
2-[(4-chlorophenyl)methylsulfonyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 86926221

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide (CID 142167238) is 2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide is O=C(CS(=O)(=O)Cc1ccc(-c2cc(F)cc(F)c2)cc1)NCCO.
What is the InChIKey of 2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is FNESMKZOEKZUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4S/c18-15-7-14(8-16(19)9-15)13-3-1-12(2-4-13)10-25(23,24)11-17(22)20-5-6-21/h1-4,7-9,21H,5-6,10-11H2,(H,20,22).
What are the key properties of 2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide?
2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 369.39 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 142167238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).