2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H16BrNO4S2 — CID 9188295

IUPAC2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)N(C)Cc2cccs2)cc1OC
InChIInChI=1S/C14H16BrNO4S2/c1-16(9-10-5-4-6-21-10)22(17,18)14-8-13(20-3)12(19-2)7-11(14)15/h4-8H,9H2,1-3H3
InChIKeyAJXHIQYYSUQMPZ-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.35
Rot. Bonds6

About 2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 9188295) has the molecular formula C14H16BrNO4S2 and a molecular weight of 406.32 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID9188295
Molecular FormulaC14H16BrNO4S2
Molecular Weight406.32 g/mol
Exact Mass404.97
IUPAC Name2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)N(C)Cc2cccs2)cc1OC
InChIInChI=1S/C14H16BrNO4S2/c1-16(9-10-5-4-6-21-10)22(17,18)14-8-13(20-3)12(19-2)7-11(14)15/h4-8H,9H2,1-3H3
InChIKeyAJXHIQYYSUQMPZ-UHFFFAOYSA-N
XLogP3.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)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

2,4-dibromo-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304794
2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304230
2-bromo-4,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17429230
4-(chloromethyl)-2-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 102704190
4-bromo-3-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 113242535
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733479
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47148979
4-fluoro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238358
5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
2-bromo-4,5-dimethoxy-N-[(1S)-1-thiophen-2-ylethyl]benzenesulfonamide
CID 9188372

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 9188295) is 2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1cc(Br)c(S(=O)(=O)N(C)Cc2cccs2)cc1OC.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is AJXHIQYYSUQMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4S2/c1-16(9-10-5-4-6-21-10)22(17,18)14-8-13(20-3)12(19-2)7-11(14)15/h4-8H,9H2,1-3H3.
What are the key properties of 2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 406.32 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 9188295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).