N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide

C8H9BrClNO2S — CID 63665760

IUPACN-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)NCc1ccc(Br)cc1
InChIInChI=1S/C8H9BrClNO2S/c9-8-3-1-7(2-4-8)5-11-14(12,13)6-10/h1-4,11H,5-6H2
InChIKeyBONPCXUGMUZKJY-UHFFFAOYSA-N
MW298.59 g/mol
LogP2.06
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide

N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide (PubChem CID 63665760) has the molecular formula C8H9BrClNO2S and a molecular weight of 298.59 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide
PubChem CID63665760
Molecular FormulaC8H9BrClNO2S
Molecular Weight298.59 g/mol
Exact Mass296.92
IUPAC NameN-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)NCc1ccc(Br)cc1
InChIInChI=1S/C8H9BrClNO2S/c9-8-3-1-7(2-4-8)5-11-14(12,13)6-10/h1-4,11H,5-6H2
InChIKeyBONPCXUGMUZKJY-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.59
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide
CID 116815160
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54973910
1-(4-bromophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]methanesulfonamide
CID 46767818
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
methyl 4-[(4-bromophenyl)methylsulfamoyl]butanoate
CID 61457335
4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755
N-[(4-bromophenyl)methyl]azepane-1-sulfonamide
CID 55223918
N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide
CID 62150324

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide (CID 63665760) is N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide is O=S(=O)(CCl)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide?
The InChIKey is BONPCXUGMUZKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2S/c9-8-3-1-7(2-4-8)5-11-14(12,13)6-10/h1-4,11H,5-6H2.
What are the key properties of N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide?
N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide has a molecular weight of 298.59 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide is sourced from PubChem (CID 63665760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).