N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide

C15H17BrN2O2S — CID 106061352

IUPACN-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-11-3-4-12(10-17-2)9-15(11)21(19,20)18-14-7-5-13(16)6-8-14/h3-9,17-18H,10H2,1-2H3
InChIKeyQSXCYJIPDNSTPK-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.28
Rot. Bonds5

About N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide

N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106061352) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106061352
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-11-3-4-12(10-17-2)9-15(11)21(19,20)18-14-7-5-13(16)6-8-14/h3-9,17-18H,10H2,1-2H3
InChIKeyQSXCYJIPDNSTPK-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106087992
N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106060591
N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106030183
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methoxyacetamide
CID 17491857
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974
N-[4-(2-bromoethyl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114296416
2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053715
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 106061352) is N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(C)c(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is QSXCYJIPDNSTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11-3-4-12(10-17-2)9-15(11)21(19,20)18-14-7-5-13(16)6-8-14/h3-9,17-18H,10H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106061352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).