N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide

C16H18FNO3S — CID 110291476

IUPACN-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC(C)(O)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-12-5-3-4-6-15(12)22(20,21)18-11-16(2,19)13-7-9-14(17)10-8-13/h3-10,18-19H,11H2,1-2H3
InChIKeyNMUUPJLBMSJAKJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide

N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide (PubChem CID 110291476) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
PubChem CID110291476
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC(C)(O)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-12-5-3-4-6-15(12)22(20,21)18-11-16(2,19)13-7-9-14(17)10-8-13/h3-10,18-19H,11H2,1-2H3
InChIKeyNMUUPJLBMSJAKJ-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide 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-[2-(4-fluorophenyl)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 110291429
4-fluoro-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 110291434
N-[(2S)-2-hydroxy-2-phenylpropyl]-2,4-dimethylbenzenesulfonamide
CID 95368044
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylbenzenesulfonamide
CID 103835619
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79556754
2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 90497565
4-fluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 71781995
N-(3-bromo-2,2-dimethylpropyl)-2-methylbenzenesulfonamide
CID 115365244
2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 97413982
4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide
CID 121085734
2-methyl-N-(4,4,4-trifluoro-3-hydroxy-3-methylbutyl)benzenesulfonamide
CID 135309655
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide (CID 110291476) is N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC(C)(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide?
The InChIKey is NMUUPJLBMSJAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-12-5-3-4-6-15(12)22(20,21)18-11-16(2,19)13-7-9-14(17)10-8-13/h3-10,18-19H,11H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide?
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110291476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).