N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide

C15H17BrN2O2S — CID 107584266

IUPACN-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-11-7-13(16)9-14(8-11)18-21(19,20)15-5-3-12(4-6-15)10-17-2/h3-9,17-18H,10H2,1-2H3
InChIKeyGWEWOBSQRVLILF-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.28
Rot. Bonds5

About N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide

N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 107584266) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID107584266
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-11-7-13(16)9-14(8-11)18-21(19,20)15-5-3-12(4-6-15)10-17-2/h3-9,17-18H,10H2,1-2H3
InChIKeyGWEWOBSQRVLILF-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

N-(3,5-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60822038
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386
N-(3-bromo-5-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 171692220
3-amino-N-(3-bromo-5-methylphenyl)-4-fluorobenzenesulfonamide
CID 107581716
N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106089266
4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 25035913
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82859753
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106061352
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide (CID 107584266) is N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2cc(C)cc(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is GWEWOBSQRVLILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11-7-13(16)9-14(8-11)18-21(19,20)15-5-3-12(4-6-15)10-17-2/h3-9,17-18H,10H2,1-2H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide?
N-(3-bromo-5-methylphenyl)-4-(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-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 107584266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).