2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide

C18H22F2N2O3S — CID 12952452

IUPAC2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide
SMILESCC(CCc1ccc(F)cc1)NCC(O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H22F2N2O3S/c1-12(2-3-13-4-7-15(19)8-5-13)22-11-17(23)14-6-9-16(20)18(10-14)26(21,24)25/h4-10,12,17,22-23H,2-3,11H2,1H3,(H2,21,24,25)
InChIKeyCTCHCGXBGBRENF-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.26
Rot. Bonds8

About 2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide

2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide (PubChem CID 12952452) has the molecular formula C18H22F2N2O3S and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide
PubChem CID12952452
Molecular FormulaC18H22F2N2O3S
Molecular Weight384.45 g/mol
Exact Mass384.13
IUPAC Name2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide
SMILESCC(CCc1ccc(F)cc1)NCC(O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H22F2N2O3S/c1-12(2-3-13-4-7-15(19)8-5-13)22-11-17(23)14-6-9-16(20)18(10-14)26(21,24)25/h4-10,12,17,22-23H,2-3,11H2,1H3,(H2,21,24,25)
InChIKeyCTCHCGXBGBRENF-UHFFFAOYSA-N
XLogP2.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide 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 2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide (CID 12952452) is 2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide is CC(CCc1ccc(F)cc1)NCC(O)c1ccc(F)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide?
The InChIKey is CTCHCGXBGBRENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3S/c1-12(2-3-13-4-7-15(19)8-5-13)22-11-17(23)14-6-9-16(20)18(10-14)26(21,24)25/h4-10,12,17,22-23H,2-3,11H2,1H3,(H2,21,24,25).
What are the key properties of 2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide?
2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide has a molecular weight of 384.45 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-[4-(4-fluorophenyl)butan-2-ylamino]-1-hydroxyethyl]benzenesulfonamide is sourced from PubChem (CID 12952452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).