5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline

C12H10Br2N2O2S — CID 4098323

IUPAC5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline
SMILESNc1cc(S(=O)(=O)c2ccc(Br)c(N)c2)ccc1Br
InChIInChI=1S/C12H10Br2N2O2S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6H,15-16H2
InChIKeyUEEMBSCCTBCSTN-UHFFFAOYSA-N
MW406.10 g/mol
LogP3.21
Rot. Bonds2

About 5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline

5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline (PubChem CID 4098323) has the molecular formula C12H10Br2N2O2S and a molecular weight of 406.10 g/mol. Its IUPAC name is 5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline.

Molecular Properties

Compound Name5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline
PubChem CID4098323
Molecular FormulaC12H10Br2N2O2S
Molecular Weight406.10 g/mol
Exact Mass403.88
IUPAC Name5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline
SMILESNc1cc(S(=O)(=O)c2ccc(Br)c(N)c2)ccc1Br
InChIInChI=1S/C12H10Br2N2O2S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6H,15-16H2
InChIKeyUEEMBSCCTBCSTN-UHFFFAOYSA-N
XLogP3.21
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline?
The IUPAC name of 5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline (CID 4098323) is 5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline.
What is the SMILES notation for 5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline?
The canonical SMILES for 5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline is Nc1cc(S(=O)(=O)c2ccc(Br)c(N)c2)ccc1Br.
What is the InChIKey of 5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline?
The InChIKey is UEEMBSCCTBCSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6H,15-16H2.
What are the key properties of 5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline?
5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline has a molecular weight of 406.10 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4-bromophenyl)sulfonyl-2-bromoaniline is sourced from PubChem (CID 4098323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).