4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide

C15H17BrN2O2S — CID 106035478

IUPAC4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)cc1Br)c1ccccc1
InChIInChI=1S/C15H17BrN2O2S/c1-11(13-5-3-2-4-6-13)18-21(19,20)15-8-7-12(10-17)9-14(15)16/h2-9,11,18H,10,17H2,1H3
InChIKeyMYLBZOOSMCQQNU-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.95
Rot. Bonds5

About 4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide

4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 106035478) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide
PubChem CID106035478
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)cc1Br)c1ccccc1
InChIInChI=1S/C15H17BrN2O2S/c1-11(13-5-3-2-4-6-13)18-21(19,20)15-8-7-12(10-17)9-14(15)16/h2-9,11,18H,10,17H2,1H3
InChIKeyMYLBZOOSMCQQNU-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218634
2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864152
4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106050184
4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
CID 114134360
5-bromo-2,4-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 94163199
4-bromo-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670104
4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide
CID 99798402
2-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826
4-(aminomethyl)-2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106009441
4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 61125800
4-(aminomethyl)-2-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055573

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide (CID 106035478) is 4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(CN)cc1Br)c1ccccc1.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is MYLBZOOSMCQQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11(13-5-3-2-4-6-13)18-21(19,20)15-8-7-12(10-17)9-14(15)16/h2-9,11,18H,10,17H2,1H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide?
4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 106035478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).