N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide

C15H15ClFNO3S — CID 109411520

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC(O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO3S/c1-18(10-15(19)11-2-4-12(16)5-3-11)22(20,21)14-8-6-13(17)7-9-14/h2-9,15,19H,10H2,1H3
InChIKeyMCTHCQDHLUAVIC-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.83
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 109411520) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID109411520
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC(O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO3S/c1-18(10-15(19)11-2-4-12(16)5-3-11)22(20,21)14-8-6-13(17)7-9-14/h2-9,15,19H,10H2,1H3
InChIKeyMCTHCQDHLUAVIC-UHFFFAOYSA-N
XLogP2.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
CID 109411515
5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide
CID 90875860
N-(2-hydroxypropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 55060830
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
N-(2-hydroxy-2-phenylethyl)-4-iodo-N-methylbenzenesulfonamide
CID 4982665
N-[2-bromo-2-(4-chlorophenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 101495550
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291150
2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 23883569
N-(2-chloroethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 63396604
2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
CID 47561636

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide (CID 109411520) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide is CN(CC(O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is MCTHCQDHLUAVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3S/c1-18(10-15(19)11-2-4-12(16)5-3-11)22(20,21)14-8-6-13(17)7-9-14/h2-9,15,19H,10H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 343.81 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 109411520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).