3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide

C14H14Br2N2O2S — CID 106007221

IUPAC3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-9-10(8-17)3-2-4-14(9)21(19,20)18-13-7-11(15)5-6-12(13)16/h2-7,18H,8,17H2,1H3
InChIKeyVEBJMAWPDQMYKN-UHFFFAOYSA-N
MW434.15 g/mol
LogP3.78
Rot. Bonds4

About 3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide

3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide (PubChem CID 106007221) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide
PubChem CID106007221
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-9-10(8-17)3-2-4-14(9)21(19,20)18-13-7-11(15)5-6-12(13)16/h2-7,18H,8,17H2,1H3
InChIKeyVEBJMAWPDQMYKN-UHFFFAOYSA-N
XLogP3.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061577
3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106089284
3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065501
5-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylthiophene-3-sulfonamide
CID 106007333
4-(aminomethyl)-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61468511
3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082813
4-(aminomethyl)-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 106007285
3-amino-N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107786884
2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63446574
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide
CID 62949723
3-(aminomethyl)-2-methyl-N-pentylbenzenesulfonamide
CID 106058253

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide (CID 106007221) is 3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide is Cc1c(CN)cccc1S(=O)(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of 3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide?
The InChIKey is VEBJMAWPDQMYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-9-10(8-17)3-2-4-14(9)21(19,20)18-13-7-11(15)5-6-12(13)16/h2-7,18H,8,17H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide?
3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide has a molecular weight of 434.15 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106007221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).