N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide

C18H22FNO3S — CID 141028528

IUPACN-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C)(O)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C18H22FNO3S/c1-13(2)24(22,23)20-12-18(3,21)16-9-7-14(8-10-16)15-5-4-6-17(19)11-15/h4-11,13,20-21H,12H2,1-3H3
InChIKeyUNYOSCZZYWXPRW-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.03
Rot. Bonds6

About N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide

N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide (PubChem CID 141028528) has the molecular formula C18H22FNO3S and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide
PubChem CID141028528
Molecular FormulaC18H22FNO3S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC NameN-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC(C)(O)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C18H22FNO3S/c1-13(2)24(22,23)20-12-18(3,21)16-9-7-14(8-10-16)15-5-4-6-17(19)11-15/h4-11,13,20-21H,12H2,1-3H3
InChIKeyUNYOSCZZYWXPRW-UHFFFAOYSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide
CID 22176572
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781848
4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide
CID 121085734
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
N-[2-fluoro-2-[4-(4-isocyanophenyl)phenyl]propyl]propane-2-sulfonamide
CID 23567058
2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine
CID 82085168
N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 90497581
2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 97413982
2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide
CID 121085769
3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179000
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 110291476
1-tert-butyl-3-(3-fluorophenyl)benzene
CID 59066475

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide (CID 141028528) is N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC(C)(O)c1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide?
The InChIKey is UNYOSCZZYWXPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3S/c1-13(2)24(22,23)20-12-18(3,21)16-9-7-14(8-10-16)15-5-4-6-17(19)11-15/h4-11,13,20-21H,12H2,1-3H3.
What are the key properties of N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide?
N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide has a molecular weight of 351.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-fluorophenyl)phenyl]-2-hydroxypropyl]propane-2-sulfonamide is sourced from PubChem (CID 141028528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).