1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide

C15H17BrN2O2S — CID 61113097

IUPAC1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1cccc(N)c1)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2S/c1-11(14-7-2-3-8-15(14)16)18-21(19,20)10-12-5-4-6-13(17)9-12/h2-9,11,18H,10,17H2,1H3
InChIKeyJCPYJSMLFHHXLT-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.21
Rot. Bonds5

About 1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide

1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide (PubChem CID 61113097) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide
PubChem CID61113097
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1cccc(N)c1)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2S/c1-11(14-7-2-3-8-15(14)16)18-21(19,20)10-12-5-4-6-13(17)9-12/h2-9,11,18H,10,17H2,1H3
InChIKeyJCPYJSMLFHHXLT-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
2-[(3-aminophenyl)methylsulfonylamino]propanamide
CID 43545255
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 43256349
1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 62305717
4-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111771
3-[(2-bromophenyl)sulfonylmethyl]aniline
CID 43382276
N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 81397530
1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide
CID 61126237
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037571
2-amino-N-[1-(2-bromophenyl)ethyl]benzenesulfonamide
CID 61111772
1-(3-aminophenyl)-N-(2,2,3,3-tetramethylcyclopropyl)methanesulfonamide
CID 79351600
1-(3-aminophenyl)-N-hex-5-yn-3-ylmethanesulfonamide
CID 113476915

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide (CID 61113097) is 1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide is CC(NS(=O)(=O)Cc1cccc(N)c1)c1ccccc1Br.
What is the InChIKey of 1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide?
The InChIKey is JCPYJSMLFHHXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11(14-7-2-3-8-15(14)16)18-21(19,20)10-12-5-4-6-13(17)9-12/h2-9,11,18H,10,17H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide?
1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-[1-(2-bromophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 61113097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).