5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide

C13H16BrNO2S3 — CID 79995043

IUPAC5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(C)N(C)S(=O)(=O)c2cc(C)c(Br)s2)s1
InChIInChI=1S/C13H16BrNO2S3/c1-8-7-12(19-13(8)14)20(16,17)15(4)10(3)11-6-5-9(2)18-11/h5-7,10H,1-4H3
InChIKeyZQIGVFWHVAELHB-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.57
Rot. Bonds4

About 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide

5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 79995043) has the molecular formula C13H16BrNO2S3 and a molecular weight of 394.38 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID79995043
Molecular FormulaC13H16BrNO2S3
Molecular Weight394.38 g/mol
Exact Mass392.95
IUPAC Name5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(C)N(C)S(=O)(=O)c2cc(C)c(Br)s2)s1
InChIInChI=1S/C13H16BrNO2S3/c1-8-7-12(19-13(8)14)20(16,17)15(4)10(3)11-6-5-9(2)18-11/h5-7,10H,1-4H3
InChIKeyZQIGVFWHVAELHB-UHFFFAOYSA-N
XLogP4.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106611181
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
5-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 61028042
2-amino-4-fluoro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 61140693
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 79964283
5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 79931524
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 61140502
5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79987976
5-bromo-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112551441
3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propane-1-sulfonamide
CID 54877273
5-bromo-4-methylthiophene-2-sulfonyl bromide
CID 130493587
5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 79995810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide (CID 79995043) is 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is Cc1ccc(C(C)N(C)S(=O)(=O)c2cc(C)c(Br)s2)s1.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZQIGVFWHVAELHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2S3/c1-8-7-12(19-13(8)14)20(16,17)15(4)10(3)11-6-5-9(2)18-11/h5-7,10H,1-4H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 394.38 g/mol, XLogP of 4.57, 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-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79995043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).