1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide

C11H14FNO3S — CID 115902929

IUPAC1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NC1(CO)CC1
InChIInChI=1S/C11H14FNO3S/c12-10-3-1-9(2-4-10)7-17(15,16)13-11(8-14)5-6-11/h1-4,13-14H,5-8H2
InChIKeyRLSACHMIHVKSEU-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.77
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide

1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide (PubChem CID 115902929) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide
PubChem CID115902929
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NC1(CO)CC1
InChIInChI=1S/C11H14FNO3S/c12-10-3-1-9(2-4-10)7-17(15,16)13-11(8-14)5-6-11/h1-4,13-14H,5-8H2
InChIKeyRLSACHMIHVKSEU-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide (CID 115902929) is 1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NC1(CO)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide?
The InChIKey is RLSACHMIHVKSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-10-3-1-9(2-4-10)7-17(15,16)13-11(8-14)5-6-11/h1-4,13-14H,5-8H2.
What are the key properties of 1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide has a molecular weight of 259.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide is sourced from PubChem (CID 115902929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).