2-(3-amino-4-bromophenyl)sulfonylguanidine

C7H9BrN4O2S — CID 116646272

IUPAC2-(3-amino-4-bromophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C7H9BrN4O2S/c8-5-2-1-4(3-6(5)9)15(13,14)12-7(10)11/h1-3H,9H2,(H4,10,11,12)
InChIKeyPKEOFCREVQUAAW-UHFFFAOYSA-N
MW293.15 g/mol
LogP-0.01
Rot. Bonds2

About 2-(3-amino-4-bromophenyl)sulfonylguanidine

2-(3-amino-4-bromophenyl)sulfonylguanidine (PubChem CID 116646272) has the molecular formula C7H9BrN4O2S and a molecular weight of 293.15 g/mol. Its IUPAC name is 2-(3-amino-4-bromophenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(3-amino-4-bromophenyl)sulfonylguanidine
PubChem CID116646272
Molecular FormulaC7H9BrN4O2S
Molecular Weight293.15 g/mol
Exact Mass291.96
IUPAC Name2-(3-amino-4-bromophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C7H9BrN4O2S/c8-5-2-1-4(3-6(5)9)15(13,14)12-7(10)11/h1-3H,9H2,(H4,10,11,12)
InChIKeyPKEOFCREVQUAAW-UHFFFAOYSA-N
XLogP-0.01
TPSA124.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-N-(2-bromo-4-fluorophenyl)benzenesulfonamide
CID 115328712
3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 113288378
3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 107212467
2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylguanidine
CID 4572847
3-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 113288382
3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 115329229
3-amino-4-bromo-N-prop-2-ynylbenzenesulfonamide
CID 115328871
3-amino-4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 115329475
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
CID 115328958
4-amino-3-bromobenzenesulfonic acid
CID 18398323
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-bromophenyl)sulfonylguanidine?
The IUPAC name of 2-(3-amino-4-bromophenyl)sulfonylguanidine (CID 116646272) is 2-(3-amino-4-bromophenyl)sulfonylguanidine.
What is the SMILES notation for 2-(3-amino-4-bromophenyl)sulfonylguanidine?
The canonical SMILES for 2-(3-amino-4-bromophenyl)sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 2-(3-amino-4-bromophenyl)sulfonylguanidine?
The InChIKey is PKEOFCREVQUAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4O2S/c8-5-2-1-4(3-6(5)9)15(13,14)12-7(10)11/h1-3H,9H2,(H4,10,11,12).
What are the key properties of 2-(3-amino-4-bromophenyl)sulfonylguanidine?
2-(3-amino-4-bromophenyl)sulfonylguanidine has a molecular weight of 293.15 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-bromophenyl)sulfonylguanidine is sourced from PubChem (CID 116646272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).