3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide

C14H15BrN2O3S — CID 106061490

IUPAC3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1CN
InChIInChI=1S/C14H15BrN2O3S/c1-20-14-6-5-13(7-10(14)9-16)21(18,19)17-12-4-2-3-11(15)8-12/h2-8,17H,9,16H2,1H3
InChIKeyGNHUTBRTLGZVIP-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.72
Rot. Bonds5

About 3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide

3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide (PubChem CID 106061490) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide
PubChem CID106061490
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1CN
InChIInChI=1S/C14H15BrN2O3S/c1-20-14-6-5-13(7-10(14)9-16)21(18,19)17-12-4-2-3-11(15)8-12/h2-8,17H,9,16H2,1H3
InChIKeyGNHUTBRTLGZVIP-UHFFFAOYSA-N
XLogP2.72
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061150
3-(aminomethyl)-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106061491
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
3-(aminomethyl)-N-(2-iodophenyl)-4-methoxybenzenesulfonamide
CID 106030152
3-(aminomethyl)-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 28718355
3-(aminomethyl)-N-(3-bromophenyl)-4-chloro-5-fluorobenzenesulfonamide
CID 106061634
N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 110757847
3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061577
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 53289163

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide (CID 106061490) is 3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1CN.
What is the InChIKey of 3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is GNHUTBRTLGZVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-20-14-6-5-13(7-10(14)9-16)21(18,19)17-12-4-2-3-11(15)8-12/h2-8,17H,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide?
3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 106061490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).