3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide

C15H17BrN2O2S — CID 106089284

IUPAC3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2cccc(CN)c2C)c1
InChIInChI=1S/C15H17BrN2O2S/c1-10-6-13(16)8-14(7-10)18-21(19,20)15-5-3-4-12(9-17)11(15)2/h3-8,18H,9,17H2,1-2H3
InChIKeySWRCGYMVALMEQP-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.33
Rot. Bonds4

About 3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide

3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 106089284) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID106089284
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2cccc(CN)c2C)c1
InChIInChI=1S/C15H17BrN2O2S/c1-10-6-13(16)8-14(7-10)18-21(19,20)15-5-3-4-12(9-17)11(15)2/h3-8,18H,9,17H2,1-2H3
InChIKeySWRCGYMVALMEQP-UHFFFAOYSA-N
XLogP3.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061577
3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide
CID 106007221
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
2-[(3-bromo-5-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 107583692
4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106089279
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 79048625
3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082813
2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
CID 107582977
3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065501
5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061602
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 107577586

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide (CID 106089284) is 3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide is Cc1cc(Br)cc(NS(=O)(=O)c2cccc(CN)c2C)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is SWRCGYMVALMEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10-6-13(16)8-14(7-10)18-21(19,20)15-5-3-4-12(9-17)11(15)2/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide?
3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106089284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).