3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide

C18H15ClFNO3S — CID 56764149

IUPAC3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFNO3S/c19-16-10-13(8-9-17(16)20)25(23,24)21-11-18(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,18,21-22H,11H2
InChIKeyHZGYREVROQQFHS-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.64
Rot. Bonds5

About 3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide

3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (PubChem CID 56764149) has the molecular formula C18H15ClFNO3S and a molecular weight of 379.84 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
PubChem CID56764149
Molecular FormulaC18H15ClFNO3S
Molecular Weight379.84 g/mol
Exact Mass379.04
IUPAC Name3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H15ClFNO3S/c19-16-10-13(8-9-17(16)20)25(23,24)21-11-18(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,18,21-22H,11H2
InChIKeyHZGYREVROQQFHS-UHFFFAOYSA-N
XLogP3.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzenesulfonamide
CID 56764138
3-chloro-4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzenesulfonamide
CID 56765485
1-(2-chlorophenyl)-N-[2-hydroxy-2-(naphthalen-1-yl)ethyl]methanesulfonamide
CID 56764148
(R)-2-(3-chloro-2-tolylsulfonylamino)-1-(1-naphthyl)-1-ethanol
CID 95367230
(R)-1-(1-naphthyl)-2-(5,6,7,8-tetrahydro-2-naphthylsulfonylamino)-1-ethanol
CID 95367237
(S)-3-(m-chlorophenylsulfonylamino)-1-(1-naphthyl)-1-propanol
CID 96350725
3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide
CID 71782280
4-fluoro-N-(1-hydroxy-3-methyl-1-naphthalen-1-ylpentan-2-yl)benzenesulfonamide
CID 21078593
N-[1-(4-chlorophenyl)-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide
CID 21078651

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (CID 56764149) is 3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The InChIKey is HZGYREVROQQFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO3S/c19-16-10-13(8-9-17(16)20)25(23,24)21-11-18(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,18,21-22H,11H2.
What are the key properties of 3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide has a molecular weight of 379.84 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 56764149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).