N-(2-bromo-5-nitrophenyl)sulfamoyl chloride

C6H4BrClN2O4S — CID 84760630

IUPACN-(2-bromo-5-nitrophenyl)sulfamoyl chloride
SMILESO=[N+]([O-])c1ccc(Br)c(NS(=O)(=O)Cl)c1
InChIInChI=1S/C6H4BrClN2O4S/c7-5-2-1-4(10(11)12)3-6(5)9-15(8,13)14/h1-3,9H
InChIKeyRWJGNDQIKLGRAV-UHFFFAOYSA-N
MW315.53 g/mol
LogP2.25
Rot. Bonds3

About N-(2-bromo-5-nitrophenyl)sulfamoyl chloride

N-(2-bromo-5-nitrophenyl)sulfamoyl chloride (PubChem CID 84760630) has the molecular formula C6H4BrClN2O4S and a molecular weight of 315.53 g/mol. Its IUPAC name is N-(2-bromo-5-nitrophenyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(2-bromo-5-nitrophenyl)sulfamoyl chloride
PubChem CID84760630
Molecular FormulaC6H4BrClN2O4S
Molecular Weight315.53 g/mol
Exact Mass313.88
IUPAC NameN-(2-bromo-5-nitrophenyl)sulfamoyl chloride
SMILESO=[N+]([O-])c1ccc(Br)c(NS(=O)(=O)Cl)c1
InChIInChI=1S/C6H4BrClN2O4S/c7-5-2-1-4(10(11)12)3-6(5)9-15(8,13)14/h1-3,9H
InChIKeyRWJGNDQIKLGRAV-UHFFFAOYSA-N
XLogP2.25
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide
CID 5089317
2-bromo-4-nitro-1-(sulfamoylamino)benzene
CID 112573617
2-bromo-N-(2,4-dimethylpentan-3-yl)-5-nitroaniline
CID 112743241
N-(2-bromo-4-nitrophenyl)ethanesulfonamide
CID 60642817
3-(2-bromo-5-nitroanilino)propanoic acid
CID 82316599
N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine
CID 69096710
(2-chloro-5-nitrophenyl)sulfamic acid
CID 14912232
4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 7510436
1-(2-bromo-5-nitrophenyl)-N-methylmethanamine
CID 59315032
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
2-bromo-5-nitroaniline;N-(2-bromo-5-nitrophenyl)acetamide
CID 87757887
N-(2-bromo-4-nitrophenyl)-1-cyanomethanesulfonamide
CID 107810838

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-nitrophenyl)sulfamoyl chloride?
The IUPAC name of N-(2-bromo-5-nitrophenyl)sulfamoyl chloride (CID 84760630) is N-(2-bromo-5-nitrophenyl)sulfamoyl chloride.
What is the SMILES notation for N-(2-bromo-5-nitrophenyl)sulfamoyl chloride?
The canonical SMILES for N-(2-bromo-5-nitrophenyl)sulfamoyl chloride is O=[N+]([O-])c1ccc(Br)c(NS(=O)(=O)Cl)c1.
What is the InChIKey of N-(2-bromo-5-nitrophenyl)sulfamoyl chloride?
The InChIKey is RWJGNDQIKLGRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN2O4S/c7-5-2-1-4(10(11)12)3-6(5)9-15(8,13)14/h1-3,9H.
What are the key properties of N-(2-bromo-5-nitrophenyl)sulfamoyl chloride?
N-(2-bromo-5-nitrophenyl)sulfamoyl chloride has a molecular weight of 315.53 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-nitrophenyl)sulfamoyl chloride is sourced from PubChem (CID 84760630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).