4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide

C15H17BrN2O2S — CID 43256596

IUPAC4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2ccc(N)cc2Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-11-3-5-12(6-4-11)10-18(2)21(19,20)15-8-7-13(17)9-14(15)16/h3-9H,10,17H2,1-2H3
InChIKeyHGDDVQRNMIQEHL-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.16
Rot. Bonds4

About 4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide

4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 43256596) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID43256596
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)c2ccc(N)cc2Br)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-11-3-5-12(6-4-11)10-18(2)21(19,20)15-8-7-13(17)9-14(15)16/h3-9H,10,17H2,1-2H3
InChIKeyHGDDVQRNMIQEHL-UHFFFAOYSA-N
XLogP3.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61106294
2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 61107779
4-amino-2-bromo-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526690
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
4-amino-N-[(3-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125461
1-methyl-4-[[methyl(sulfamoyl)amino]methyl]benzene
CID 43132046
4-amino-2-bromo-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63631384
4-amino-N-[(2-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125375
2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105733

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 43256596) is 4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CN(C)S(=O)(=O)c2ccc(N)cc2Br)cc1.
What is the InChIKey of 4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is HGDDVQRNMIQEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11-3-5-12(6-4-11)10-18(2)21(19,20)15-8-7-13(17)9-14(15)16/h3-9H,10,17H2,1-2H3.
What are the key properties of 4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 43256596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).