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

C15H16FNO3S — CID 43508631

IUPAC4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H16FNO3S/c1-10-8-13(16)6-7-15(10)21(19,20)17-14-5-3-4-12(9-14)11(2)18/h3-9,11,17-18H,1-2H3
InChIKeyUZZXDYVTYXUGCJ-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.99
Rot. Bonds4

About 4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide

4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide (PubChem CID 43508631) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
PubChem CID43508631
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H16FNO3S/c1-10-8-13(16)6-7-15(10)21(19,20)17-14-5-3-4-12(9-14)11(2)18/h3-9,11,17-18H,1-2H3
InChIKeyUZZXDYVTYXUGCJ-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

5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629
N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 43508604
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43508632
4-fluoro-2-methyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 100691508
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
2,5-difluoro-N-[4-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416719
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100292
4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 39330217
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24656490
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide (CID 43508631) is 4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of 4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide?
The InChIKey is UZZXDYVTYXUGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-10-8-13(16)6-7-15(10)21(19,20)17-14-5-3-4-12(9-14)11(2)18/h3-9,11,17-18H,1-2H3.
What are the key properties of 4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide?
4-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 4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 43508631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).