N-(2-bromo-4-nitrophenyl)ethanesulfonamide

C8H9BrN2O4S — CID 60642817

IUPACN-(2-bromo-4-nitrophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H9BrN2O4S/c1-2-16(14,15)10-8-4-3-6(11(12)13)5-7(8)9/h3-5,10H,2H2,1H3
InChIKeyUELFCLWFDVERKE-UHFFFAOYSA-N
MW309.14 g/mol
LogP2.12
Rot. Bonds4

About N-(2-bromo-4-nitrophenyl)ethanesulfonamide

N-(2-bromo-4-nitrophenyl)ethanesulfonamide (PubChem CID 60642817) has the molecular formula C8H9BrN2O4S and a molecular weight of 309.14 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)ethanesulfonamide
PubChem CID60642817
Molecular FormulaC8H9BrN2O4S
Molecular Weight309.14 g/mol
Exact Mass307.95
IUPAC NameN-(2-bromo-4-nitrophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C8H9BrN2O4S/c1-2-16(14,15)10-8-4-3-6(11(12)13)5-7(8)9/h3-5,10H,2H2,1H3
InChIKeyUELFCLWFDVERKE-UHFFFAOYSA-N
XLogP2.12
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 52.12
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-4-nitrophenyl)-2-(methylamino)ethanesulfonamide
CID 114003680
N-(2-bromo-4-nitrophenyl)-1-cyanomethanesulfonamide
CID 107810838
2-bromo-4-nitro-1-(sulfamoylamino)benzene
CID 112573617
2-bromo-N-(2-ethylsulfonylethyl)-4-nitroaniline
CID 114111392
2-bromo-N-(2-ethylbutyl)-4-nitroaniline
CID 43742267
N-(4-nitrophenyl)ethanesulfonamide
CID 521811
N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
CID 60641413
2-bromo-N-(3-methylpentan-2-yl)-4-nitroaniline
CID 43742183
N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide
CID 91441095
N-(2-bromo-4-methoxyphenyl)ethanesulfonamide
CID 171393230
2-bromo-N-[(4-ethylphenyl)methyl]-4-nitroaniline
CID 43742237
2-bromo-N-(2,3-dimethylbutyl)-4-nitroaniline
CID 64598369

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)ethanesulfonamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)ethanesulfonamide (CID 60642817) is N-(2-bromo-4-nitrophenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)ethanesulfonamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)ethanesulfonamide?
The InChIKey is UELFCLWFDVERKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O4S/c1-2-16(14,15)10-8-4-3-6(11(12)13)5-7(8)9/h3-5,10H,2H2,1H3.
What are the key properties of N-(2-bromo-4-nitrophenyl)ethanesulfonamide?
N-(2-bromo-4-nitrophenyl)ethanesulfonamide has a molecular weight of 309.14 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)ethanesulfonamide is sourced from PubChem (CID 60642817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).