3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide

C14H15BrN2O2S — CID 106061577

IUPAC3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-10-11(9-16)4-2-7-14(10)20(18,19)17-13-6-3-5-12(15)8-13/h2-8,17H,9,16H2,1H3
InChIKeyORPUSENIFKKETD-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.02
Rot. Bonds4

About 3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide

3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide (PubChem CID 106061577) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
PubChem CID106061577
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-10-11(9-16)4-2-7-14(10)20(18,19)17-13-6-3-5-12(15)8-13/h2-8,17H,9,16H2,1H3
InChIKeyORPUSENIFKKETD-UHFFFAOYSA-N
XLogP3.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(3-bromo-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106089284
3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide
CID 106007221
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061602
3-(aminomethyl)-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106061491
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061490
3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065501
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445
2-(aminomethyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 106060498
2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide
CID 62057135
4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide
CID 6502861

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide (CID 106061577) is 3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide is Cc1c(CN)cccc1S(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide?
The InChIKey is ORPUSENIFKKETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10-11(9-16)4-2-7-14(10)20(18,19)17-13-6-3-5-12(15)8-13/h2-8,17H,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide?
3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.02, 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-bromophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106061577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).