3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide

C15H17BrN2O2S — CID 106088180

IUPAC3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Br)c2C)cc1CN
InChIInChI=1S/C15H17BrN2O2S/c1-10-6-7-13(8-12(10)9-17)21(19,20)18-15-5-3-4-14(16)11(15)2/h3-8,18H,9,17H2,1-2H3
InChIKeyBLWPSTOCLVSJTF-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.33
Rot. Bonds4

About 3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide

3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 106088180) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID106088180
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Br)c2C)cc1CN
InChIInChI=1S/C15H17BrN2O2S/c1-10-6-7-13(8-12(10)9-17)21(19,20)18-15-5-3-4-14(16)11(15)2/h3-8,18H,9,17H2,1-2H3
InChIKeyBLWPSTOCLVSJTF-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-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
CID 106073917
3-(aminomethyl)-N-(2-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061150
4-(aminomethyl)-2-bromo-N-(3-bromo-2-methylphenyl)benzenesulfonamide
CID 106088126
3-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 28717015
N-(3-bromo-2-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 107630479
3-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 106070501
4-(aminomethyl)-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 106088177
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 107236787
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide (CID 106088180) is 3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(Br)c2C)cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is BLWPSTOCLVSJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10-6-7-13(8-12(10)9-17)21(19,20)18-15-5-3-4-14(16)11(15)2/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-methylbenzenesulfonamide?
3-(aminomethyl)-N-(3-bromo-2-methylphenyl)-4-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-2-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 106088180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).