N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide

C16H18BrNO2S — CID 1087335

IUPACN-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(C)c1
InChIInChI=1S/C16H18BrNO2S/c1-10-7-12(3)16(13(4)8-10)21(19,20)18-14-5-6-15(17)11(2)9-14/h5-9,18H,1-4H3
InChIKeyDXOOTXGIKJORQB-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.48
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide

N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 1087335) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID1087335
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(C)c1
InChIInChI=1S/C16H18BrNO2S/c1-10-7-12(3)16(13(4)8-10)21(19,20)18-14-5-6-15(17)11(2)9-14/h5-9,18H,1-4H3
InChIKeyDXOOTXGIKJORQB-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

3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79884838
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
N-(4-bromo-3-methylphenyl)-2,6-dimethyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695218
N-(4-bromo-3-methylphenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 55731702
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755
N-(4-bromo-3-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22774681
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328569
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide (CID 1087335) is N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is DXOOTXGIKJORQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-10-7-12(3)16(13(4)8-10)21(19,20)18-14-5-6-15(17)11(2)9-14/h5-9,18H,1-4H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide?
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide 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 N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 1087335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).