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

C14H15BrN2O3S — CID 115329060

IUPAC3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccc(CCO)cc2)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c15-13-6-5-12(9-14(13)16)21(19,20)17-11-3-1-10(2-4-11)7-8-18/h1-6,9,17-18H,7-8,16H2
InChIKeyLIWUGARCTYVBCS-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.37
Rot. Bonds5

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

3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide (PubChem CID 115329060) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
PubChem CID115329060
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccc(CCO)cc2)ccc1Br
InChIInChI=1S/C14H15BrN2O3S/c15-13-6-5-12(9-14(13)16)21(19,20)17-11-3-1-10(2-4-11)7-8-18/h1-6,9,17-18H,7-8,16H2
InChIKeyLIWUGARCTYVBCS-UHFFFAOYSA-N
XLogP2.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 115329223
3-amino-4-bromo-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 115328665
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
CID 115329583
2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 61221276
3-amino-4-fluoro-N-(4-propylphenyl)benzenesulfonamide
CID 43378598
4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24650335
3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 107212467
3-amino-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-sulfonamide
CID 103304997
3-amino-4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 115329475
3-amino-4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 115328602
4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 59571909

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide (CID 115329060) is 3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccc(CCO)cc2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The InChIKey is LIWUGARCTYVBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c15-13-6-5-12(9-14(13)16)21(19,20)17-11-3-1-10(2-4-11)7-8-18/h1-6,9,17-18H,7-8,16H2.
What are the key properties of 3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 115329060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).