3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline

C12H10Br2N2O2S — CID 132513071

IUPAC3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
SMILESO=S(=O)(Nc1cccc(Br)c1)Nc1cccc(Br)c1
InChIInChI=1S/C12H10Br2N2O2S/c13-9-3-1-5-11(7-9)15-19(17,18)16-12-6-2-4-10(14)8-12/h1-8,15-16H
InChIKeyYWFPUCNCOJGFFE-UHFFFAOYSA-N
MW406.10 g/mol
LogP3.98
Rot. Bonds4

About 3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline

3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline (PubChem CID 132513071) has the molecular formula C12H10Br2N2O2S and a molecular weight of 406.10 g/mol. Its IUPAC name is 3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
PubChem CID132513071
Molecular FormulaC12H10Br2N2O2S
Molecular Weight406.10 g/mol
Exact Mass403.88
IUPAC Name3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
SMILESO=S(=O)(Nc1cccc(Br)c1)Nc1cccc(Br)c1
InChIInChI=1S/C12H10Br2N2O2S/c13-9-3-1-5-11(7-9)15-19(17,18)16-12-6-2-4-10(14)8-12/h1-8,15-16H
InChIKeyYWFPUCNCOJGFFE-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}

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Related Compounds

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CID 104516899
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
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CID 114815403
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
N-[(3-bromophenyl)methylsulfamoyl]aniline
CID 166696368
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
N-(3-bromophenyl)-3-methylbutane-1-sulfonamide
CID 63362334
N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3372952
4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
CID 43257573
N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328569
3-bromoaniline;N-(3-bromophenyl)methanesulfonamide;methanesulfonyl chloride
CID 159407379

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline?
The IUPAC name of 3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline (CID 132513071) is 3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline.
What is the SMILES notation for 3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline?
The canonical SMILES for 3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline is O=S(=O)(Nc1cccc(Br)c1)Nc1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline?
The InChIKey is YWFPUCNCOJGFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2S/c13-9-3-1-5-11(7-9)15-19(17,18)16-12-6-2-4-10(14)8-12/h1-8,15-16H.
What are the key properties of 3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline?
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline has a molecular weight of 406.10 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline is sourced from PubChem (CID 132513071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).