4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide

C14H15BrN2O2S — CID 61400770

IUPAC4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-10-7-13(16)5-6-14(10)20(18,19)17-9-11-3-2-4-12(15)8-11/h2-8,17H,9,16H2,1H3
InChIKeyFOFBYUKSWSMTKS-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.82
Rot. Bonds4

About 4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide

4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 61400770) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID61400770
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-10-7-13(16)5-6-14(10)20(18,19)17-9-11-3-2-4-12(15)8-11/h2-8,17H,9,16H2,1H3
InChIKeyFOFBYUKSWSMTKS-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107212459
3-amino-N-[(3-bromophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79885294
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107229581
N-[(3-aminophenyl)methyl]-4-bromo-2-fluorobenzenesulfonamide
CID 116527253
4-amino-N-[(3-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125461
2-amino-N-[(3-bromophenyl)methyl]-5-fluorobenzenesulfonamide
CID 61400854
4-[(3-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804872
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
ethyl 4-[(3-bromophenyl)methylsulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069201
5-bromo-4-[(3-bromophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62830234
2-amino-N-[(3-bromophenyl)methyl]ethanesulfonamide
CID 61410493

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide (CID 61400770) is 4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NCc1cccc(Br)c1.
What is the InChIKey of 4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is FOFBYUKSWSMTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10-7-13(16)5-6-14(10)20(18,19)17-9-11-3-2-4-12(15)8-11/h2-8,17H,9,16H2,1H3.
What are the key properties of 4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide?
4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-bromophenyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 61400770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).