N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide

C14H13Br2NO2S — CID 50876820

IUPACN-benzyl-2,4-dibromo-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)c(Br)cc1Br
InChIInChI=1S/C14H13Br2NO2S/c1-10-7-14(13(16)8-12(10)15)20(18,19)17-9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3
InChIKeyQQZXWOFUHGPFQU-UHFFFAOYSA-N
MW419.14 g/mol
LogP4.00
Rot. Bonds4

About N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide

N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide (PubChem CID 50876820) has the molecular formula C14H13Br2NO2S and a molecular weight of 419.14 g/mol. Its IUPAC name is N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2,4-dibromo-5-methylbenzenesulfonamide
PubChem CID50876820
Molecular FormulaC14H13Br2NO2S
Molecular Weight419.14 g/mol
Exact Mass416.90
IUPAC NameN-benzyl-2,4-dibromo-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)c(Br)cc1Br
InChIInChI=1S/C14H13Br2NO2S/c1-10-7-14(13(16)8-12(10)15)20(18,19)17-9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3
InChIKeyQQZXWOFUHGPFQU-UHFFFAOYSA-N
XLogP4.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.14
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-bromo-5-chloro-4-methylbenzenesulfonamide
CID 50876708
4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 91669643
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
CID 15943814
2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833668
4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120724230
2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
4-amino-N-benzyl-3-bromobenzenesulfonamide
CID 62058559
2-bromo-4-fluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47264299
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide
CID 158580510

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide (CID 50876820) is N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ccccc2)c(Br)cc1Br.
What is the InChIKey of N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide?
The InChIKey is QQZXWOFUHGPFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2S/c1-10-7-14(13(16)8-12(10)15)20(18,19)17-9-11-5-3-2-4-6-11/h2-8,17H,9H2,1H3.
What are the key properties of N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide?
N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide has a molecular weight of 419.14 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide is sourced from PubChem (CID 50876820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).