3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide

C10H9BrN2O2S2 — CID 115329583

IUPAC3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccsc2)ccc1Br
InChIInChI=1S/C10H9BrN2O2S2/c11-9-2-1-8(5-10(9)12)17(14,15)13-7-3-4-16-6-7/h1-6,13H,12H2
InChIKeySIBLIZZJUUNMFS-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.89
Rot. Bonds3

About 3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide

3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 115329583) has the molecular formula C10H9BrN2O2S2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
PubChem CID115329583
Molecular FormulaC10H9BrN2O2S2
Molecular Weight333.23 g/mol
Exact Mass331.93
IUPAC Name3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccsc2)ccc1Br
InChIInChI=1S/C10H9BrN2O2S2/c11-9-2-1-8(5-10(9)12)17(14,15)13-7-3-4-16-6-7/h1-6,13H,12H2
InChIKeySIBLIZZJUUNMFS-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
CID 66350781
3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66352299
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
3-amino-4-bromo-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 115328665
3-amino-4-bromo-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 115329223
3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 115328636
3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 115329060
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
CID 115329454
4-amino-3-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 107618470
3-amino-4-bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 115329248
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide (CID 115329583) is 3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccsc2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is SIBLIZZJUUNMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S2/c11-9-2-1-8(5-10(9)12)17(14,15)13-7-3-4-16-6-7/h1-6,13H,12H2.
What are the key properties of 3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide?
3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 333.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 115329583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).