5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide

C16H18BrNO2S — CID 139014532

IUPAC5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(Br)c(C)cc2C)c1
InChIInChI=1S/C16H18BrNO2S/c1-10-5-11(2)7-14(6-10)18-21(19,20)16-9-15(17)12(3)8-13(16)4/h5-9,18H,1-4H3
InChIKeyOUNQVRWBDIOXOS-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.48
Rot. Bonds3

About 5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide

5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 139014532) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
PubChem CID139014532
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(Br)c(C)cc2C)c1
InChIInChI=1S/C16H18BrNO2S/c1-10-5-11(2)7-14(6-10)18-21(19,20)16-9-15(17)12(3)8-13(16)4/h5-9,18H,1-4H3
InChIKeyOUNQVRWBDIOXOS-UHFFFAOYSA-N
XLogP4.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427019
N-(4-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327224
2,5-dibromo-N-(4-iodophenyl)-4-methylbenzenesulfonamide
CID 81327829
5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114625894
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 81326724
5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 45100413
2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 80708187
5-bromo-N-[(2S)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 51860913
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoate
CID 6957575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide (CID 139014532) is 5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cc(Br)c(C)cc2C)c1.
What is the InChIKey of 5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is OUNQVRWBDIOXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-10-5-11(2)7-14(6-10)18-21(19,20)16-9-15(17)12(3)8-13(16)4/h5-9,18H,1-4H3.
What are the key properties of 5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide?
5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 139014532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).