4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide

C16H18BrNO2S — CID 91669643

IUPAC4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(C)c(Br)cc2C)cc1
InChIInChI=1S/C16H18BrNO2S/c1-11-4-6-14(7-5-11)10-18-21(19,20)16-9-12(2)15(17)8-13(16)3/h4-9,18H,10H2,1-3H3
InChIKeyIOONZNZRFTUFED-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.85
Rot. Bonds4

About 4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide

4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 91669643) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID91669643
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(C)c(Br)cc2C)cc1
InChIInChI=1S/C16H18BrNO2S/c1-11-4-6-14(7-5-11)10-18-21(19,20)16-9-12(2)15(17)8-13(16)3/h4-9,18H,10H2,1-3H3
InChIKeyIOONZNZRFTUFED-UHFFFAOYSA-N
XLogP3.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide
CID 50876820
4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120724230
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
N-(1,3-benzodioxol-5-ylmethyl)-5-bromo-2,4-dimethylbenzenesulfonamide
CID 1327872
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 25252496
N-(2-amino-2-methylpropyl)-4-bromo-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119987988
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide
CID 50876708
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
2-methyl-4-(3-methyl-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53094982

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 91669643) is 4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(C)c(Br)cc2C)cc1.
What is the InChIKey of 4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is IOONZNZRFTUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-11-4-6-14(7-5-11)10-18-21(19,20)16-9-12(2)15(17)8-13(16)3/h4-9,18H,10H2,1-3H3.
What are the key properties of 4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91669643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).