4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide

C15H15BrClNO2S — CID 65482585

IUPAC4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H15BrClNO2S/c1-18(11-13-4-2-3-5-15(13)17)21(19,20)14-8-6-12(10-16)7-9-14/h2-9H,10-11H2,1H3
InChIKeyAPZQORBMWGNOSM-UHFFFAOYSA-N
MW388.71 g/mol
LogP4.06
Rot. Bonds5

About 4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide

4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 65482585) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID65482585
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H15BrClNO2S/c1-18(11-13-4-2-3-5-15(13)17)21(19,20)14-8-6-12(10-16)7-9-14/h2-9H,10-11H2,1H3
InChIKeyAPZQORBMWGNOSM-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62152999
5-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methylbenzamide
CID 34035463
1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide
CID 61105924
N-[(2-chloro-4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 47096592
4-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 43578997
N-[4-[(2-chlorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 2664445

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide (CID 65482585) is 4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is APZQORBMWGNOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-18(11-13-4-2-3-5-15(13)17)21(19,20)14-8-6-12(10-16)7-9-14/h2-9H,10-11H2,1H3.
What are the key properties of 4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 388.71 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 65482585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).