2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide

C14H18FNO4S — CID 75456877

IUPAC2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CC(O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO4S/c1-9(14(18)16(2)11-7-12(17)8-11)21(19,20)13-5-3-10(15)4-6-13/h3-6,9,11-12,17H,7-8H2,1-2H3
InChIKeyLAFHXHTVAPWYNN-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.97
Rot. Bonds4

About 2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide

2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide (PubChem CID 75456877) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide
PubChem CID75456877
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)C1CC(O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO4S/c1-9(14(18)16(2)11-7-12(17)8-11)21(19,20)13-5-3-10(15)4-6-13/h3-6,9,11-12,17H,7-8H2,1-2H3
InChIKeyLAFHXHTVAPWYNN-UHFFFAOYSA-N
XLogP0.97
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 134373870
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CID 43393909
CID 43393909
CID 43393966
CID 43393966
CID 43573645
CID 43573645
CID 43573791
CID 43573791
CID 54916807
CID 54916807
CID 54917048
CID 54917048
CID 60308074
CID 60308074
CID 61039561
CID 61039561
CID 61039692
CID 61039692
CID 61039780
CID 61039780

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide (CID 75456877) is 2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide is CC(C(=O)N(C)C1CC(O)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide?
The InChIKey is LAFHXHTVAPWYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-9(14(18)16(2)11-7-12(17)8-11)21(19,20)13-5-3-10(15)4-6-13/h3-6,9,11-12,17H,7-8H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide?
2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide has a molecular weight of 315.37 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide is sourced from PubChem (CID 75456877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).