N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide

C12H18FNO3S — CID 95633225

IUPACN-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@H](O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO3S/c1-2-3-7-18(16,17)14-9-12(15)10-5-4-6-11(13)8-10/h4-6,8,12,14-15H,2-3,7,9H2,1H3/t12-/m0/s1
InChIKeyTXXISSXKHVLIMN-LBPRGKRZSA-N
MW275.34 g/mol
LogP1.58
Rot. Bonds7

About N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide

N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide (PubChem CID 95633225) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide
PubChem CID95633225
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC NameN-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@H](O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO3S/c1-2-3-7-18(16,17)14-9-12(15)10-5-4-6-11(13)8-10/h4-6,8,12,14-15H,2-3,7,9H2,1H3/t12-/m0/s1
InChIKeyTXXISSXKHVLIMN-LBPRGKRZSA-N
XLogP1.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide (CID 95633225) is N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC[C@H](O)c1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide?
The InChIKey is TXXISSXKHVLIMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-2-3-7-18(16,17)14-9-12(15)10-5-4-6-11(13)8-10/h4-6,8,12,14-15H,2-3,7,9H2,1H3/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide?
N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide has a molecular weight of 275.34 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide is sourced from PubChem (CID 95633225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).