5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide

C15H16FNO3S — CID 43508629

IUPAC5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H16FNO3S/c1-10-6-7-13(16)9-15(10)21(19,20)17-14-5-3-4-12(8-14)11(2)18/h3-9,11,17-18H,1-2H3
InChIKeyJVIHYVLSDNDYBP-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.99
Rot. Bonds4

About 5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide

5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide (PubChem CID 43508629) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
PubChem CID43508629
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H16FNO3S/c1-10-6-7-13(16)9-15(10)21(19,20)17-14-5-3-4-12(8-14)11(2)18/h3-9,11,17-18H,1-2H3
InChIKeyJVIHYVLSDNDYBP-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43508632
N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 43508604
2,5-difluoro-N-[4-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416719
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 6456729
N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100292
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 30489963
5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 3600793

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide (CID 43508629) is 5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of 5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide?
The InChIKey is JVIHYVLSDNDYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-6-7-13(16)9-15(10)21(19,20)17-14-5-3-4-12(8-14)11(2)18/h3-9,11,17-18H,1-2H3.
What are the key properties of 5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide?
5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 43508629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).