2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide

C15H15Br2NO2S — CID 61060458

IUPAC2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cccc(CN(C)S(=O)(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H15Br2NO2S/c1-11-4-3-5-12(8-11)10-18(2)21(19,20)15-9-13(16)6-7-14(15)17/h3-9H,10H2,1-2H3
InChIKeyLXVKTUFPZXHQJS-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.34
Rot. Bonds4

About 2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide

2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 61060458) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
PubChem CID61060458
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cccc(CN(C)S(=O)(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H15Br2NO2S/c1-11-4-3-5-12(8-11)10-18(2)21(19,20)15-9-13(16)6-7-14(15)17/h3-9H,10H2,1-2H3
InChIKeyLXVKTUFPZXHQJS-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 30328697
N-(1,3-benzodioxol-5-ylmethyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 30173853
2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61217796
2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
4-amino-N-[(3-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125461
2,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61067597
2,5-dibromo-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64511312
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568
2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105733
N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 113285756

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide (CID 61060458) is 2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide is Cc1cccc(CN(C)S(=O)(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is LXVKTUFPZXHQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-11-4-3-5-12(8-11)10-18(2)21(19,20)15-9-13(16)6-7-14(15)17/h3-9H,10H2,1-2H3.
What are the key properties of 2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 433.17 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 61060458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).