5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide

C18H16BrClN2O3S2 — CID 121123398

IUPAC5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCc1sc(-c2ccccc2Cl)nc1C
InChIInChI=1S/C18H16BrClN2O3S2/c1-11-16(26-18(22-11)13-5-3-4-6-14(13)20)10-21-27(23,24)17-9-12(19)7-8-15(17)25-2/h3-9,21H,10H2,1-2H3
InChIKeySAUWCVWTPNWWNM-UHFFFAOYSA-N
MW487.83 g/mol
LogP5.02
Rot. Bonds6

About 5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide

5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 121123398) has the molecular formula C18H16BrClN2O3S2 and a molecular weight of 487.83 g/mol. Its IUPAC name is 5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
PubChem CID121123398
Molecular FormulaC18H16BrClN2O3S2
Molecular Weight487.83 g/mol
Exact Mass485.95
IUPAC Name5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCc1sc(-c2ccccc2Cl)nc1C
InChIInChI=1S/C18H16BrClN2O3S2/c1-11-16(26-18(22-11)13-5-3-4-6-14(13)20)10-21-27(23,24)17-9-12(19)7-8-15(17)25-2/h3-9,21H,10H2,1-2H3
InChIKeySAUWCVWTPNWWNM-UHFFFAOYSA-N
XLogP5.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.83
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide 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 5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide (CID 121123398) is 5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCc1sc(-c2ccccc2Cl)nc1C.
What is the InChIKey of 5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is SAUWCVWTPNWWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN2O3S2/c1-11-16(26-18(22-11)13-5-3-4-6-14(13)20)10-21-27(23,24)17-9-12(19)7-8-15(17)25-2/h3-9,21H,10H2,1-2H3.
What are the key properties of 5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 487.83 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 121123398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).