2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide

C11H16BrNO2S2 — CID 115662781

IUPAC2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H16BrNO2S2/c1-3-16-8-9(2)13-17(14,15)11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyPSGJJPWVXBVIPX-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.87
Rot. Bonds6

About 2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide

2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide (PubChem CID 115662781) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
PubChem CID115662781
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC Name2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
SMILESCCSCC(C)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H16BrNO2S2/c1-3-16-8-9(2)13-17(14,15)11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyPSGJJPWVXBVIPX-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide 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-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide
CID 115684220
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439
2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 113318745
N-(1-ethylsulfanylpropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
CID 106083415
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 61073522
2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 94227411
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542
2-bromo-N-methylbenzenesulfonamide
CID 850141
5-amino-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 113498915
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide (CID 115662781) is 2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide is CCSCC(C)NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide?
The InChIKey is PSGJJPWVXBVIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c1-3-16-8-9(2)13-17(14,15)11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of 2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide?
2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide has a molecular weight of 338.29 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 115662781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).