5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide

C14H15BrN2O3S — CID 106061488

IUPAC5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O3S/c1-20-13-6-5-10(9-16)7-14(13)21(18,19)17-12-4-2-3-11(15)8-12/h2-8,17H,9,16H2,1H3
InChIKeyNJAHVUJCEFQDGE-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.72
Rot. Bonds5

About 5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide

5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide (PubChem CID 106061488) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
PubChem CID106061488
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O3S/c1-20-13-6-5-10(9-16)7-14(13)21(18,19)17-12-4-2-3-11(15)8-12/h2-8,17H,9,16H2,1H3
InChIKeyNJAHVUJCEFQDGE-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

5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
3-(aminomethyl)-N-(3-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061490
5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061602
5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 81397536
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 47062659
3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061577
5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 29267050

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide (CID 106061488) is 5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide is COc1ccc(CN)cc1S(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is NJAHVUJCEFQDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-20-13-6-5-10(9-16)7-14(13)21(18,19)17-12-4-2-3-11(15)8-12/h2-8,17H,9,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
5-(aminomethyl)-N-(3-bromophenyl)-2-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 5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106061488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).