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

C11H11Br2NO2S3 — CID 79988961

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 Name5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylthiophene-2-sulfonamide
PubChem CID79988961
Molecular FormulaC11H11Br2NO2S3
Molecular Weight445.22 g/mol
Exact Mass442.83
IUPAC Name5-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
XLogP4.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.22
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N,4-dimethyl-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 79932170
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 54982582
5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 79994649
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 54987200
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,3,6-trimethylbenzenesulfonamide
CID 103171374
5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 79931524
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63944435
5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 106441810
5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 79931229
5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79987976
5-bromo-N,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 79988088

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).