4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide

C14H14BrNO3S — CID 59571909

IUPAC4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCO)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO3S/c15-12-4-6-14(7-5-12)20(18,19)16-13-3-1-2-11(10-13)8-9-17/h1-7,10,16-17H,8-9H2
InChIKeyPFHPUFXWZUEIRR-UHFFFAOYSA-N
MW356.24 g/mol
LogP2.78
Rot. Bonds5

About 4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide

4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide (PubChem CID 59571909) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
PubChem CID59571909
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(CCO)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNO3S/c15-12-4-6-14(7-5-12)20(18,19)16-13-3-1-2-11(10-13)8-9-17/h1-7,10,16-17H,8-9H2
InChIKeyPFHPUFXWZUEIRR-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 25094423
4-bromo-N-[3-chloro-4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 86013530
ethyl 2-[3-[[4-(4-bromophenyl)phenyl]sulfonylamino]phenyl]acetate
CID 25095242
3-[(4-bromophenyl)sulfonylamino]-N-phenylmethoxybenzamide
CID 26372769
4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
CID 39436095
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
3-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688702

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide (CID 59571909) is 4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(CCO)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The InChIKey is PFHPUFXWZUEIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c15-12-4-6-14(7-5-12)20(18,19)16-13-3-1-2-11(10-13)8-9-17/h1-7,10,16-17H,8-9H2.
What are the key properties of 4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide?
4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 59571909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).