1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide

C15H17BrN2O2S — CID 106076529

IUPAC1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)Cc2cccc(CN)c2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-11-5-6-14(16)15(7-11)18-21(19,20)10-13-4-2-3-12(8-13)9-17/h2-8,18H,9-10,17H2,1H3
InChIKeyUNVCULUTLMXEBD-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.16
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide (PubChem CID 106076529) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide
PubChem CID106076529
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)Cc2cccc(CN)c2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-11-5-6-14(16)15(7-11)18-21(19,20)10-13-4-2-3-12(8-13)9-17/h2-8,18H,9-10,17H2,1H3
InChIKeyUNVCULUTLMXEBD-UHFFFAOYSA-N
XLogP3.16
TPSA72.19 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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
1-[4-(aminomethyl)phenyl]-N-(2-bromophenyl)methanesulfonamide
CID 106061234
1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
CID 106070788
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
1-[4-(aminomethyl)phenyl]-N-(2-fluoro-4-methylphenyl)methanesulfonamide
CID 28892351
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-[3-(aminomethyl)phenyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 106037003
1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide
CID 60978443
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
3-[(2-bromo-5-methylphenyl)sulfamoyl]propanoic acid
CID 82760976
2-bromo-5-methyl-N-(propylsulfamoyl)aniline
CID 114808956
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 60979279

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide (CID 106076529) is 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide is Cc1ccc(Br)c(NS(=O)(=O)Cc2cccc(CN)c2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide?
The InChIKey is UNVCULUTLMXEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11-5-6-14(16)15(7-11)18-21(19,20)10-13-4-2-3-12(8-13)9-17/h2-8,18H,9-10,17H2,1H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide is sourced from PubChem (CID 106076529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).