5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide

C16H19BrN2O2S2 — CID 26544330

IUPAC5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H19BrN2O2S2/c1-18(23(20,21)16-9-8-15(17)22-16)12-13-6-2-3-7-14(13)19-10-4-5-11-19/h2-3,6-9H,4-5,10-12H2,1H3
InChIKeyMVSLAVMHKAQWHR-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.93
Rot. Bonds5

About 5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide

5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 26544330) has the molecular formula C16H19BrN2O2S2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID26544330
Molecular FormulaC16H19BrN2O2S2
Molecular Weight415.38 g/mol
Exact Mass414.01
IUPAC Name5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H19BrN2O2S2/c1-18(23(20,21)16-9-8-15(17)22-16)12-13-6-2-3-7-14(13)19-10-4-5-11-19/h2-3,6-9H,4-5,10-12H2,1H3
InChIKeyMVSLAVMHKAQWHR-UHFFFAOYSA-N
XLogP3.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide 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-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide (CID 26544330) is 5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide is CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is MVSLAVMHKAQWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2S2/c1-18(23(20,21)16-9-8-15(17)22-16)12-13-6-2-3-7-14(13)19-10-4-5-11-19/h2-3,6-9H,4-5,10-12H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide?
5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 415.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 26544330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).