2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide

C14H13Br2NO3S — CID 62004233

IUPAC2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C14H13Br2NO3S/c1-17(11-4-6-12(20-2)7-5-11)21(18,19)14-9-10(15)3-8-13(14)16/h3-9H,1-2H3
InChIKeyLLGGDAKIFQADHA-UHFFFAOYSA-N
MW435.14 g/mol
LogP4.05
Rot. Bonds4

About 2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide

2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 62004233) has the molecular formula C14H13Br2NO3S and a molecular weight of 435.14 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID62004233
Molecular FormulaC14H13Br2NO3S
Molecular Weight435.14 g/mol
Exact Mass432.90
IUPAC Name2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cc(Br)ccc2Br)cc1
InChIInChI=1S/C14H13Br2NO3S/c1-17(11-4-6-12(20-2)7-5-11)21(18,19)14-9-10(15)3-8-13(14)16/h3-9H,1-2H3
InChIKeyLLGGDAKIFQADHA-UHFFFAOYSA-N
XLogP4.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.14
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 62003855
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 60643138
5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65206643
5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 65207218
2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide
CID 66619434
N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094905
N-(4-bromo-3-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1252221
N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280023
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
2,5-dibromo-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64511312
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide (CID 62004233) is 2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2cc(Br)ccc2Br)cc1.
What is the InChIKey of 2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is LLGGDAKIFQADHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO3S/c1-17(11-4-6-12(20-2)7-5-11)21(18,19)14-9-10(15)3-8-13(14)16/h3-9H,1-2H3.
What are the key properties of 2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide?
2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 435.14 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62004233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).