N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide

C12H16FNO3S — CID 43577643

IUPACN-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)N(CCO)C1CC1
InChIInChI=1S/C12H16FNO3S/c13-11-3-1-10(2-4-11)9-18(16,17)14(7-8-15)12-5-6-12/h1-4,12,15H,5-9H2
InChIKeyUUMSENSTCOBXBN-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.11
Rot. Bonds6

About N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide

N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 43577643) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID43577643
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)N(CCO)C1CC1
InChIInChI=1S/C12H16FNO3S/c13-11-3-1-10(2-4-11)9-18(16,17)14(7-8-15)12-5-6-12/h1-4,12,15H,5-9H2
InChIKeyUUMSENSTCOBXBN-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide (CID 43577643) is N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is UUMSENSTCOBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-11-3-1-10(2-4-11)9-18(16,17)14(7-8-15)12-5-6-12/h1-4,12,15H,5-9H2.
What are the key properties of N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 43577643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).