2-bromo-4-nitro-1-(sulfamoylamino)benzene

C6H6BrN3O4S — CID 112573617

IUPAC2-bromo-4-nitro-1-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C6H6BrN3O4S/c7-5-3-4(10(11)12)1-2-6(5)9-15(8,13)14/h1-3,9H,(H2,8,13,14)
InChIKeyZTPNFZXRIWAVEZ-UHFFFAOYSA-N
MW296.10 g/mol
LogP0.97
Rot. Bonds3

About 2-bromo-4-nitro-1-(sulfamoylamino)benzene

2-bromo-4-nitro-1-(sulfamoylamino)benzene (PubChem CID 112573617) has the molecular formula C6H6BrN3O4S and a molecular weight of 296.10 g/mol. Its IUPAC name is 2-bromo-4-nitro-1-(sulfamoylamino)benzene.

Molecular Properties

Compound Name2-bromo-4-nitro-1-(sulfamoylamino)benzene
PubChem CID112573617
Molecular FormulaC6H6BrN3O4S
Molecular Weight296.10 g/mol
Exact Mass294.93
IUPAC Name2-bromo-4-nitro-1-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C6H6BrN3O4S/c7-5-3-4(10(11)12)1-2-6(5)9-15(8,13)14/h1-3,9H,(H2,8,13,14)
InChIKeyZTPNFZXRIWAVEZ-UHFFFAOYSA-N
XLogP0.97
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-nitrophenyl)ethanesulfonamide
CID 60642817
N-(2-bromo-4-nitrophenyl)-1-cyanomethanesulfonamide
CID 107810838
3-amino-N-(2-bromo-4-nitrophenyl)benzenesulfonamide
CID 107810852
N-(2-bromo-4-nitrophenyl)-2-(methylamino)ethanesulfonamide
CID 114003680
2-bromo-1-(diazonioamino)-4-nitrobenzene
CID 151722653
2-bromo-N-(2-ethylsulfonylethyl)-4-nitroaniline
CID 114111392
N-(2,4-dibromophenyl)-3-nitrobenzenesulfonamide
CID 22773590
N-(2-bromo-5-nitrophenyl)sulfamoyl chloride
CID 84760630
N-(2-bromo-4-nitrophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61053109
N-(2-bromo-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 2975037
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
2-bromo-N-(2-ethylbutyl)-4-nitroaniline
CID 43742267

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-nitro-1-(sulfamoylamino)benzene?
The IUPAC name of 2-bromo-4-nitro-1-(sulfamoylamino)benzene (CID 112573617) is 2-bromo-4-nitro-1-(sulfamoylamino)benzene.
What is the SMILES notation for 2-bromo-4-nitro-1-(sulfamoylamino)benzene?
The canonical SMILES for 2-bromo-4-nitro-1-(sulfamoylamino)benzene is NS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of 2-bromo-4-nitro-1-(sulfamoylamino)benzene?
The InChIKey is ZTPNFZXRIWAVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O4S/c7-5-3-4(10(11)12)1-2-6(5)9-15(8,13)14/h1-3,9H,(H2,8,13,14).
What are the key properties of 2-bromo-4-nitro-1-(sulfamoylamino)benzene?
2-bromo-4-nitro-1-(sulfamoylamino)benzene has a molecular weight of 296.10 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-nitro-1-(sulfamoylamino)benzene is sourced from PubChem (CID 112573617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).