N-(3-bromophenyl)iminomethanesulfonamide

C7H7BrN2O2S — CID 162405145

IUPACN-(3-bromophenyl)iminomethanesulfonamide
SMILESCS(=O)(=O)/N=N/c1cccc(Br)c1
InChIInChI=1S/C7H7BrN2O2S/c1-13(11,12)10-9-7-4-2-3-6(8)5-7/h2-5H,1H3/b10-9+
InChIKeyHLLDPDVEXRMBEU-MDZDMXLPSA-N
MW263.12 g/mol
LogP2.49
Rot. Bonds2

About N-(3-bromophenyl)iminomethanesulfonamide

N-(3-bromophenyl)iminomethanesulfonamide (PubChem CID 162405145) has the molecular formula C7H7BrN2O2S and a molecular weight of 263.12 g/mol. Its IUPAC name is N-(3-bromophenyl)iminomethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)iminomethanesulfonamide
PubChem CID162405145
Molecular FormulaC7H7BrN2O2S
Molecular Weight263.12 g/mol
Exact Mass261.94
IUPAC NameN-(3-bromophenyl)iminomethanesulfonamide
SMILESCS(=O)(=O)/N=N/c1cccc(Br)c1
InChIInChI=1S/C7H7BrN2O2S/c1-13(11,12)10-9-7-4-2-3-6(8)5-7/h2-5H,1H3/b10-9+
InChIKeyHLLDPDVEXRMBEU-MDZDMXLPSA-N
XLogP2.49
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(3-bromophenyl)-(2-methylphenyl)diazene
CID 563793
4-[[(3-bromophenyl)diazenyl]methylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 20683548
(3-bromophenyl)-(4-nitrophenyl)diazene
CID 71382481
[(3-bromophenyl)-methyl-oxo-λ6-sulfanylidene]cyanamide
CID 90430313
(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene
CID 86246481
(3-bromophenyl)-(2-iodophenyl)diazene
CID 142736144
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
4-[(3-bromophenyl)diazenyl]-2-ethanethioyl-5-methyl-1H-pyrazol-3-one
CID 136650469
1-bromo-3-(4-methylsulfonylcyclohexyl)benzene
CID 138533525
sodium N-(3-methoxyphenyl)iminosulfamate
CID 23715155
N-[(3-bromophenyl)methylideneamino]methanesulfonamide
CID 867189
(3-bromophenyl)-(1,1,1-trifluoroheptan-3-yl)diazene
CID 132545729

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)iminomethanesulfonamide?
The IUPAC name of N-(3-bromophenyl)iminomethanesulfonamide (CID 162405145) is N-(3-bromophenyl)iminomethanesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)iminomethanesulfonamide?
The canonical SMILES for N-(3-bromophenyl)iminomethanesulfonamide is CS(=O)(=O)/N=N/c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)iminomethanesulfonamide?
The InChIKey is HLLDPDVEXRMBEU-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H7BrN2O2S/c1-13(11,12)10-9-7-4-2-3-6(8)5-7/h2-5H,1H3/b10-9+.
What are the key properties of N-(3-bromophenyl)iminomethanesulfonamide?
N-(3-bromophenyl)iminomethanesulfonamide has a molecular weight of 263.12 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)iminomethanesulfonamide is sourced from PubChem (CID 162405145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).