2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide

C15H15Br2NO2S — CID 138999711

IUPAC2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1ccccc1Br)N(C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H15Br2NO2S/c1-11(12-7-3-4-8-13(12)16)18(2)21(19,20)15-10-6-5-9-14(15)17/h3-11H,1-2H3
InChIKeyOJXHTDOEUIIQOZ-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.59
Rot. Bonds4

About 2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide

2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide (PubChem CID 138999711) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide
PubChem CID138999711
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1ccccc1Br)N(C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H15Br2NO2S/c1-11(12-7-3-4-8-13(12)16)18(2)21(19,20)15-10-6-5-9-14(15)17/h3-11H,1-2H3
InChIKeyOJXHTDOEUIIQOZ-UHFFFAOYSA-N
XLogP4.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-2-bromo-N-methylbenzenesulfonamide
CID 43550366
3-[(2-bromophenyl)sulfonyl-methylamino]butanethioamide
CID 63223551
3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 61457823
2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60732273
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 61067762
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 61047048
N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
CID 62688610
3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61059692
3-[(2-bromophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 103723773
N-[(2-bromophenyl)-phenylmethyl]-2-chloro-N-methylpyridine-3-sulfonamide
CID 139014984
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
N-[1-(2-bromophenyl)ethyl]-4-cyano-N-propylbenzenesulfonamide
CID 60540003

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide (CID 138999711) is 2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide is CC(c1ccccc1Br)N(C)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is OJXHTDOEUIIQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-11(12-7-3-4-8-13(12)16)18(2)21(19,20)15-10-6-5-9-14(15)17/h3-11H,1-2H3.
What are the key properties of 2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide?
2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 433.17 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 138999711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).