N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide

C13H11BrN2O4S — CID 29279096

IUPACN-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(CS(=O)(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C13H11BrN2O4S/c14-12-3-1-2-4-13(12)15-21(19,20)9-10-5-7-11(8-6-10)16(17)18/h1-8,15H,9H2
InChIKeyHEGHQUHYBBJBQF-UHFFFAOYSA-N
MW371.21 g/mol
LogP3.30
Rot. Bonds5

About N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide

N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide (PubChem CID 29279096) has the molecular formula C13H11BrN2O4S and a molecular weight of 371.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide
PubChem CID29279096
Molecular FormulaC13H11BrN2O4S
Molecular Weight371.21 g/mol
Exact Mass369.96
IUPAC NameN-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(CS(=O)(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C13H11BrN2O4S/c14-12-3-1-2-4-13(12)15-21(19,20)9-10-5-7-11(8-6-10)16(17)18/h1-8,15H,9H2
InChIKeyHEGHQUHYBBJBQF-UHFFFAOYSA-N
XLogP3.30
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 53.30
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

1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
2-bromo-N-[2-(4-nitrophenyl)ethyl]aniline
CID 43519934
2-[(4-nitrophenyl)methylsulfonylamino]ethanesulfonamide
CID 61132756
N-(2-chloro-5-nitrophenyl)-1-(4-chlorophenyl)methanesulfonamide
CID 18891447
1-(4-nitrophenyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 1070571
N-(2-bromo-4-nitrophenyl)ethanesulfonamide
CID 60642817
N-(2-bromo-4-nitrophenyl)-1-cyanomethanesulfonamide
CID 107810838
1-(4-nitrophenyl)-N-prop-2-ynylmethanesulfonamide
CID 58956310
1-(4-nitrophenyl)-N-pentan-3-ylmethanesulfonamide
CID 47164690
N-(1,2-diphenylethyl)-1-(4-nitrophenyl)methanesulfonamide
CID 55598670
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
2-[(2-bromophenyl)sulfamoyl]acetic acid
CID 28773666

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide (CID 29279096) is N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1ccc(CS(=O)(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide?
The InChIKey is HEGHQUHYBBJBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4S/c14-12-3-1-2-4-13(12)15-21(19,20)9-10-5-7-11(8-6-10)16(17)18/h1-8,15H,9H2.
What are the key properties of N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide?
N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide has a molecular weight of 371.21 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 29279096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).