N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide

C15H14BrCl2NO2S — CID 56513401

IUPACN-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrCl2NO2S/c1-10(12-3-2-4-13(16)8-12)19-22(20,21)9-11-5-6-14(17)15(18)7-11/h2-8,10,19H,9H2,1H3
InChIKeyZVIVWTQSEMWJCT-UHFFFAOYSA-N
MW423.16 g/mol
LogP4.94
Rot. Bonds5

About N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide

N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide (PubChem CID 56513401) has the molecular formula C15H14BrCl2NO2S and a molecular weight of 423.16 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
PubChem CID56513401
Molecular FormulaC15H14BrCl2NO2S
Molecular Weight423.16 g/mol
Exact Mass420.93
IUPAC NameN-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrCl2NO2S/c1-10(12-3-2-4-13(16)8-12)19-22(20,21)9-11-5-6-14(17)15(18)7-11/h2-8,10,19H,9H2,1H3
InChIKeyZVIVWTQSEMWJCT-UHFFFAOYSA-N
XLogP4.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.16
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(3,4-dichlorophenyl)methylsulfonylamino]ethyl]benzenesulfonamide
CID 56513916
N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
CID 107858585
1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 43426655
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroethanesulfonamide
CID 107858584
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
CID 81371672
1-(3,4-dichlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]methanesulfonamide
CID 43915985
1-(3,4-dichlorophenyl)-N-[(2R)-2-phenylpropyl]methanesulfonamide
CID 99115120
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)propan-1-amine
CID 43779041
3-[[(1R)-1-(3-bromophenyl)ethyl]sulfamoyl]propanoic acid
CID 81371671
N-[1-(3-bromophenyl)ethyl]-2-(cyclopropylamino)ethanesulfonamide
CID 106002819
1-(3-bromophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 100572279
1-(3-bromophenyl)-N-(3-methylbutan-2-yl)methanesulfonamide
CID 133250176

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide (CID 56513401) is N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide is CC(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
The InChIKey is ZVIVWTQSEMWJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO2S/c1-10(12-3-2-4-13(16)8-12)19-22(20,21)9-11-5-6-14(17)15(18)7-11/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide?
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide has a molecular weight of 423.16 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 56513401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).