3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide

C12H18BrNO3S — CID 82959752

IUPAC3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO3S/c1-10(2)14(7-8-17-3)18(15,16)12-6-4-5-11(13)9-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyUGVLFNUTHFSASF-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.49
Rot. Bonds6

About 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide

3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 82959752) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID82959752
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCOCCN(C(C)C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO3S/c1-10(2)14(7-8-17-3)18(15,16)12-6-4-5-11(13)9-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyUGVLFNUTHFSASF-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide 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

3-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 61060778
3-amino-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948814
3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 3702166
3-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82965253
3-acetyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82951128
3-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 163201385
3-(chloromethyl)-4-ethyl-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82943175
N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
CID 81258859
3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948850
N-(2-methoxyethyl)-N-pentan-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 52620638
3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide
CID 106441720
2,4-dibromo-N-butan-2-yl-N-(2-methoxyethyl)benzenesulfonamide
CID 61061226

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide (CID 82959752) is 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is COCCN(C(C)C)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UGVLFNUTHFSASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-10(2)14(7-8-17-3)18(15,16)12-6-4-5-11(13)9-12/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide?
3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 336.25 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82959752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).