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

C18H15ClFNO3S — CID 166326529

IUPAC4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(Cl)cc1F
InChIInChI=1S/C18H15ClFNO3S/c19-13-8-9-18(16(20)10-13)25(23,24)21-11-17(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,17,21-22H,11H2
InChIKeyNTTOLMVJTZEVKL-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.64
Rot. Bonds5

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

4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (PubChem CID 166326529) has the molecular formula C18H15ClFNO3S and a molecular weight of 379.84 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
PubChem CID166326529
Molecular FormulaC18H15ClFNO3S
Molecular Weight379.84 g/mol
Exact Mass379.04
IUPAC Name4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(Cl)cc1F
InChIInChI=1S/C18H15ClFNO3S/c19-13-8-9-18(16(20)10-13)25(23,24)21-11-17(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,17,21-22H,11H2
InChIKeyNTTOLMVJTZEVKL-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-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methoxybenzenesulfonamide
CID 95367250
4-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-methylbenzenesulfonamide
CID 95367217
2-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
CID 166326540
2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524516
1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
CID 90497384
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2,5-dimethylbenzenesulfonamide
CID 90497358
2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524514
4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide
CID 166326565
4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755068
3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
CID 95367229
6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide
CID 166423420
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (CID 166326529) is 4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The InChIKey is NTTOLMVJTZEVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO3S/c19-13-8-9-18(16(20)10-13)25(23,24)21-11-17(22)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,17,21-22H,11H2.
What are the key properties of 4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
4-chloro-2-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 4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 166326529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).