N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide

C10H11BrN2O4S — CID 169221110

IUPACN-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1CNS(=O)(=O)C1CC1
InChIInChI=1S/C10H11BrN2O4S/c11-8-1-4-10(13(14)15)7(5-8)6-12-18(16,17)9-2-3-9/h1,4-5,9,12H,2-3,6H2
InChIKeyXWWQFNTVSZYRNG-UHFFFAOYSA-N
MW335.18 g/mol
LogP1.94
Rot. Bonds5

About N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide

N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide (PubChem CID 169221110) has the molecular formula C10H11BrN2O4S and a molecular weight of 335.18 g/mol. Its IUPAC name is N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide
PubChem CID169221110
Molecular FormulaC10H11BrN2O4S
Molecular Weight335.18 g/mol
Exact Mass333.96
IUPAC NameN-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1CNS(=O)(=O)C1CC1
InChIInChI=1S/C10H11BrN2O4S/c11-8-1-4-10(13(14)15)7(5-8)6-12-18(16,17)9-2-3-9/h1,4-5,9,12H,2-3,6H2
InChIKeyXWWQFNTVSZYRNG-UHFFFAOYSA-N
XLogP1.94
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 51.94
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-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide
CID 62049363
1-(5-bromo-2-nitrophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 113340228
1-(5-bromo-2-nitrophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
CID 103859198
2-[(5-bromo-2-nitrophenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851041
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 61301011
5-bromo-N-(cyclopentylmethyl)-2-nitrobenzenesulfonamide
CID 61016024
N-[(5-bromo-2-nitrophenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103859113
N-[(4-bromo-2-nitrophenyl)methyl]oxan-4-amine
CID 114381098
N-[(5-bromo-2-nitrophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103859182
3-bromo-N-[(5-bromo-2-nitrophenyl)methyl]-4-fluoroaniline
CID 104775794
2-bromo-N-[(5-bromo-2-nitrophenyl)methyl]-5-methylaniline
CID 82761309
N-[(5-bromo-2-nitrophenyl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 113352179

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide (CID 169221110) is N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide is O=[N+]([O-])c1ccc(Br)cc1CNS(=O)(=O)C1CC1.
What is the InChIKey of N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide?
The InChIKey is XWWQFNTVSZYRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4S/c11-8-1-4-10(13(14)15)7(5-8)6-12-18(16,17)9-2-3-9/h1,4-5,9,12H,2-3,6H2.
What are the key properties of N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide?
N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide has a molecular weight of 335.18 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 169221110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).