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

C14H18FNO4S — CID 97306499

IUPAC(2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide
SMILESC[C@@H](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/t9-,11?,12?/m0/s1
InChIKeyLAFHXHTVAPWYNN-GCVQQVDUSA-N
MW315.37 g/mol
LogP0.97
Rot. Bonds4

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

(2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide (PubChem CID 97306499) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide
PubChem CID97306499
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name(2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide
SMILESC[C@@H](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/t9-,11?,12?/m0/s1
InChIKeyLAFHXHTVAPWYNN-GCVQQVDUSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide (CID 97306499) is (2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide is C[C@@H](C(=O)N(C)C1CC(O)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide?
The InChIKey is LAFHXHTVAPWYNN-GCVQQVDUSA-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/t9-,11?,12?/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide?
(2S)-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 (2S)-2-(4-fluorophenyl)sulfonyl-N-(3-hydroxycyclobutyl)-N-methylpropanamide is sourced from PubChem (CID 97306499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).