N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide

C14H13BrFNO3S — CID 107629533

IUPACN-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H13BrFNO3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17-14-8-11(16)5-6-13(14)15/h2-9,17-18H,1H3
InChIKeyDYKPPXFRQZZBPL-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.44
Rot. Bonds4

About N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide

N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 107629533) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
PubChem CID107629533
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC NameN-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C14H13BrFNO3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17-14-8-11(16)5-6-13(14)15/h2-9,17-18H,1H3
InChIKeyDYKPPXFRQZZBPL-UHFFFAOYSA-N
XLogP3.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507543
3-(1-hydroxyethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 42946409
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
CID 43507196
N-(2,3-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507509
N-(2,4-dichlorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507327
4-acetyl-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 103752842
4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 107649996
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 107624656
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43508632
5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide (CID 107629533) is N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide is CC(O)c1cccc(S(=O)(=O)Nc2cc(F)ccc2Br)c1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is DYKPPXFRQZZBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17-14-8-11(16)5-6-13(14)15/h2-9,17-18H,1H3.
What are the key properties of N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide?
N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-3-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 107629533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).