2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine

C12H10Br2N2O2S — CID 175091393

IUPAC2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine
SMILESNc1cccc(N)c1S(=O)(=O)c1cccc(Br)c1Br
InChIInChI=1S/C12H10Br2N2O2S/c13-7-3-1-6-10(11(7)14)19(17,18)12-8(15)4-2-5-9(12)16/h1-6H,15-16H2
InChIKeyFAOVBNHLURNTSZ-UHFFFAOYSA-N
MW406.10 g/mol
LogP3.21
Rot. Bonds2

About 2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine

2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine (PubChem CID 175091393) has the molecular formula C12H10Br2N2O2S and a molecular weight of 406.10 g/mol. Its IUPAC name is 2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine
PubChem CID175091393
Molecular FormulaC12H10Br2N2O2S
Molecular Weight406.10 g/mol
Exact Mass403.88
IUPAC Name2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine
SMILESNc1cccc(N)c1S(=O)(=O)c1cccc(Br)c1Br
InChIInChI=1S/C12H10Br2N2O2S/c13-7-3-1-6-10(11(7)14)19(17,18)12-8(15)4-2-5-9(12)16/h1-6H,15-16H2
InChIKeyFAOVBNHLURNTSZ-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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Related Compounds

2,3-dibromoaniline;hydrochloride
CID 140969535
1,2,3,4,5-pentabromo-6-(2,3,4-tribromophenyl)sulfonylbenzene
CID 21329001
3-(2-bromophenyl)sulfonylaniline
CID 125425326
2-(2-amino-6-bromophenyl)-3-bromoaniline
CID 14024662
2-bromobenzenesulfonamide;hydrochloride
CID 172836390
2-amino-6-iodobenzenesulfonamide
CID 23151660
2-bromoaniline
CID 162048621
2-aminobenzaldehyde;2-bromobenzenesulfonic acid
CID 175498765
1-(amino-methylidene-oxo-λ6-sulfanyl)-2-bromobenzene
CID 91226081
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide
CID 61360192
3-bromo-2-(propylsulfonylmethyl)aniline
CID 43444822
3-amino-N-(2-bromophenyl)-2-nitrobenzenesulfonamide
CID 115993305

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine?
The IUPAC name of 2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine (CID 175091393) is 2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine.
What is the SMILES notation for 2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine?
The canonical SMILES for 2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine is Nc1cccc(N)c1S(=O)(=O)c1cccc(Br)c1Br.
What is the InChIKey of 2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine?
The InChIKey is FAOVBNHLURNTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2S/c13-7-3-1-6-10(11(7)14)19(17,18)12-8(15)4-2-5-9(12)16/h1-6H,15-16H2.
What are the key properties of 2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine?
2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine 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 2-(2,3-dibromophenyl)sulfonylbenzene-1,3-diamine is sourced from PubChem (CID 175091393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).