2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide

C14H13BrFNO3S — CID 61221276

IUPAC2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCO)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C14H13BrFNO3S/c15-13-9-11(16)3-6-14(13)21(19,20)17-12-4-1-10(2-5-12)7-8-18/h1-6,9,17-18H,7-8H2
InChIKeyLBKVEKMGTADYEX-UHFFFAOYSA-N
MW374.23 g/mol
LogP2.92
Rot. Bonds5

About 2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide

2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide (PubChem CID 61221276) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
PubChem CID61221276
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC Name2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCO)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C14H13BrFNO3S/c15-13-9-11(16)3-6-14(13)21(19,20)17-12-4-1-10(2-5-12)7-8-18/h1-6,9,17-18H,7-8H2
InChIKeyLBKVEKMGTADYEX-UHFFFAOYSA-N
XLogP2.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 114296387
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64792667
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
2-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54922007
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 115329060
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037
N-[4-(2-bromoethyl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114296416

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide (CID 61221276) is 2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CCO)cc1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The InChIKey is LBKVEKMGTADYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c15-13-9-11(16)3-6-14(13)21(19,20)17-12-4-1-10(2-5-12)7-8-18/h1-6,9,17-18H,7-8H2.
What are the key properties of 2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 61221276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).