N-(2-bromophenyl)propane-2-sulfonamide

C9H12BrNO2S — CID 60864383

IUPACN-(2-bromophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C9H12BrNO2S/c1-7(2)14(12,13)11-9-6-4-3-5-8(9)10/h3-7,11H,1-2H3
InChIKeyNEJNWWBHEOLBTI-UHFFFAOYSA-N
MW278.17 g/mol
LogP2.60
Rot. Bonds3

About N-(2-bromophenyl)propane-2-sulfonamide

N-(2-bromophenyl)propane-2-sulfonamide (PubChem CID 60864383) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is N-(2-bromophenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)propane-2-sulfonamide
PubChem CID60864383
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC NameN-(2-bromophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C9H12BrNO2S/c1-7(2)14(12,13)11-9-6-4-3-5-8(9)10/h3-7,11H,1-2H3
InChIKeyNEJNWWBHEOLBTI-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromophenyl)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

N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106061222
2-bromo-N-(methylsulfamoyl)aniline
CID 71126560
N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
CID 64593313
N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide
CID 171393220
N-[(1R)-1-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 81397530
N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
CID 60858301
N-(2-bromophenyl)-1-methylcyclopropane-1-sulfonamide
CID 129188563
N-(2,5-dimethylphenyl)propane-2-sulfonamide
CID 62997790
3-[2-(propan-2-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 68792993
N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 48945854
2-[(2-bromophenyl)sulfamoyl]acetic acid
CID 28773666
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)propane-2-sulfonamide?
The IUPAC name of N-(2-bromophenyl)propane-2-sulfonamide (CID 60864383) is N-(2-bromophenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-bromophenyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-bromophenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)propane-2-sulfonamide?
The InChIKey is NEJNWWBHEOLBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-7(2)14(12,13)11-9-6-4-3-5-8(9)10/h3-7,11H,1-2H3.
What are the key properties of N-(2-bromophenyl)propane-2-sulfonamide?
N-(2-bromophenyl)propane-2-sulfonamide has a molecular weight of 278.17 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)propane-2-sulfonamide is sourced from PubChem (CID 60864383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).