5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide

C12H14BrNO3S2 — CID 79931229

IUPAC5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccoc2C)sc1Br
InChIInChI=1S/C12H14BrNO3S2/c1-8-6-11(18-12(8)13)19(15,16)14(3)7-10-4-5-17-9(10)2/h4-6H,7H2,1-3H3
InChIKeyJTDRHRRMYXWGBT-UHFFFAOYSA-N
MW364.29 g/mol
LogP3.54
Rot. Bonds4

About 5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide

5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 79931229) has the molecular formula C12H14BrNO3S2 and a molecular weight of 364.29 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID79931229
Molecular FormulaC12H14BrNO3S2
Molecular Weight364.29 g/mol
Exact Mass362.96
IUPAC Name5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccoc2C)sc1Br
InChIInChI=1S/C12H14BrNO3S2/c1-8-6-11(18-12(8)13)19(15,16)14(3)7-10-4-5-17-9(10)2/h4-6H,7H2,1-3H3
InChIKeyJTDRHRRMYXWGBT-UHFFFAOYSA-N
XLogP3.54
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)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

Related Compounds

5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 79994649
5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387662
4-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 61426476
2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387654
5-amino-N,2,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426713
5-bromo-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 79932170
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide
CID 79988961
5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 79931524
2-amino-5-bromo-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 106491612
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 106441810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide (CID 79931229) is 5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2ccoc2C)sc1Br.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is JTDRHRRMYXWGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3S2/c1-8-6-11(18-12(8)13)19(15,16)14(3)7-10-4-5-17-9(10)2/h4-6H,7H2,1-3H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide?
5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 364.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79931229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).