5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide

Name: 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₁Br₂NO₂S₃ — CID 79988961

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide

SMILESCc1cc(S(=O)(=O)N(C)Cc2csc(Br)c2)sc1Br

InChIInChI=1S/C11H11Br2NO2S3/c1-7-3-10(18-11(7)13)19(15,16)14(2)5-8-4-9(12)17-6-8/h3-4,6H,5H2,1-2H3

InChIKeyCQTDOAIHTWIEAF-UHFFFAOYSA-N

MW445.22 g/mol

LogP4.46

Rot. Bonds4

About 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide

5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide (PubChem CID 79988961) has the molecular formula C₁₁H₁₁Br₂NO₂S₃ and a molecular weight of 445.22 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name	5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide
PubChem CID	79988961
Molecular Formula	C₁₁H₁₁Br₂NO₂S₃
Molecular Weight	445.22 g/mol
Exact Mass	442.83
IUPAC Name	5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide
SMILES	Cc1cc(S(=O)(=O)N(C)Cc2csc(Br)c2)sc1Br
InChI	InChI=1S/C11H11Br2NO2S3/c1-7-3-10(18-11(7)13)19(15,16)14(2)5-8-4-9(12)17-6-8/h3-4,6H,5H2,1-2H3
InChIKey	CQTDOAIHTWIEAF-UHFFFAOYSA-N
XLogP	4.46
TPSA	37.38 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.22
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide?

The IUPAC name of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide (CID 79988961) is 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide.

What is the SMILES notation for 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide?

The canonical SMILES for 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2csc(Br)c2)sc1Br.

What is the InChIKey of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide?

The InChIKey is CQTDOAIHTWIEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO2S3/c1-7-3-10(18-11(7)13)19(15,16)14(2)5-8-4-9(12)17-6-8/h3-4,6H,5H2,1-2H3.

What are the key properties of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide?

5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide has a molecular weight of 445.22 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 79988961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 79988961 — identifiers, structure, computed properties (public domain)

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