N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide

C16H18BrNO3S — CID 12032652

IUPACN-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO3S/c1-12-3-9-15(10-4-12)22(19,20)18-11-16(21-2)13-5-7-14(17)8-6-13/h3-10,16,18H,11H2,1-2H3
InChIKeyAJDAFHHYRYAELX-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide

N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide (PubChem CID 12032652) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
PubChem CID12032652
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC NameN-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO3S/c1-12-3-9-15(10-4-12)22(19,20)18-11-16(21-2)13-5-7-14(17)8-6-13/h3-10,16,18H,11H2,1-2H3
InChIKeyAJDAFHHYRYAELX-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide (CID 12032652) is N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide is COC(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide?
The InChIKey is AJDAFHHYRYAELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-12-3-9-15(10-4-12)22(19,20)18-11-16(21-2)13-5-7-14(17)8-6-13/h3-10,16,18H,11H2,1-2H3.
What are the key properties of N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide?
N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide has a molecular weight of 384.30 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 12032652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).