N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide

C11H16BrNO2S — CID 48945854

IUPACN-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1ccccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-9(2)16(14,15)13-8-7-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyGKMXQLYCGDFQLF-UHFFFAOYSA-N
MW306.22 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide

N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide (PubChem CID 48945854) has the molecular formula C11H16BrNO2S and a molecular weight of 306.22 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide
PubChem CID48945854
Molecular FormulaC11H16BrNO2S
Molecular Weight306.22 g/mol
Exact Mass305.01
IUPAC NameN-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1ccccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-9(2)16(14,15)13-8-7-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyGKMXQLYCGDFQLF-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide 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

(2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide
CID 97317324
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206611
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
2-(2-bromophenyl)-N-(chloromethyl)ethanamine
CID 115263436
N-[2-(2-bromophenyl)ethyl]nitrous amide
CID 169495086
N-(2-bromophenyl)propane-2-sulfonamide
CID 60864383
4-amino-N-[2-(2-bromophenyl)ethyl]-2-methylbutanamide
CID 115156135
(2S)-N-[2-(2-bromophenyl)ethyl]-2-(carbamoylamino)propanamide
CID 95312924
ethane;N-[(2-methylphenyl)methyl]propane-2-sulfonamide
CID 160662868
1-[2-(2-bromophenyl)ethyl]-3-[(E)-3-methylbut-1-enyl]urea
CID 108911211

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide (CID 48945854) is N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide?
The InChIKey is GKMXQLYCGDFQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-9(2)16(14,15)13-8-7-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide?
N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide has a molecular weight of 306.22 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 48945854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).