N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide

C15H15ClFNO3S — CID 75387192

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC(O)c1ccccc1Cl
InChIInChI=1S/C15H15ClFNO3S/c16-14-7-2-1-6-13(14)15(19)9-18-22(20,21)10-11-4-3-5-12(17)8-11/h1-8,15,18-19H,9-10H2
InChIKeyZORSOOZOUYRTSI-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 75387192) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID75387192
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC(O)c1ccccc1Cl
InChIInChI=1S/C15H15ClFNO3S/c16-14-7-2-1-6-13(14)15(19)9-18-22(20,21)10-11-4-3-5-12(17)8-11/h1-8,15,18-19H,9-10H2
InChIKeyZORSOOZOUYRTSI-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-methylbenzenesulfonamide
CID 56765483
5-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 45479962
3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 46902198
3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 53240237
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]propane-1-sulfonamide
CID 72003032
[(R)-2-(o-chlorophenyl)-2-methoxyethyl](o-fluorophenylsulfonyl)amine
CID 99698240
[(R)-2-(o-chlorophenyl)-2-methoxyethyl]{[p-(trifluoromethyl)phenyl]methylsulfonyl}amine
CID 99876219
3-chloro-4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzenesulfonamide
CID 56765485
2-Amino-1-(2-chloro-5-fluorophenyl)ethan-1-ol
CID 82404297
1-(2-chlorophenyl)-N-[2-hydroxy-2-(naphthalen-1-yl)ethyl]methanesulfonamide
CID 56764148
1-(4-chlorophenyl)-N-(2-cyclohexyl-2-hydroxyethyl)methanesulfonamide
CID 56764329
(S)-2-[(o-chlorophenyl)methylsulfonylamino]-1-cyclopropyl-1-phenyl-1-ethanol
CID 95379511

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide (CID 75387192) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCC(O)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is ZORSOOZOUYRTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3S/c16-14-7-2-1-6-13(14)15(19)9-18-22(20,21)10-11-4-3-5-12(17)8-11/h1-8,15,18-19H,9-10H2.
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 343.81 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 75387192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).