5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide

C13H17BrN2O2S2 — CID 110415650

IUPAC5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2ccc(Br)s2)c(C)n1C
InChIInChI=1S/C13H17BrN2O2S2/c1-9-8-11(10(2)16(9)3)6-7-15-20(17,18)13-5-4-12(14)19-13/h4-5,8,15H,6-7H2,1-3H3
InChIKeyWFSASCJPFZGHDD-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.99
Rot. Bonds5

About 5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide

5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110415650) has the molecular formula C13H17BrN2O2S2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110415650
Molecular FormulaC13H17BrN2O2S2
Molecular Weight377.33 g/mol
Exact Mass375.99
IUPAC Name5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2ccc(Br)s2)c(C)n1C
InChIInChI=1S/C13H17BrN2O2S2/c1-9-8-11(10(2)16(9)3)6-7-15-20(17,18)13-5-4-12(14)19-13/h4-5,8,15H,6-7H2,1-3H3
InChIKeyWFSASCJPFZGHDD-UHFFFAOYSA-N
XLogP2.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110641451
N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
CID 110641438
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110416011
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 62305247
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415642
5-bromo-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721147
3,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110415649
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799
1-(4-chlorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]methanesulfonamide
CID 110415635
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 19575260
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
CID 61060598

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide (CID 110415650) is 5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide is Cc1cc(CCNS(=O)(=O)c2ccc(Br)s2)c(C)n1C.
What is the InChIKey of 5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is WFSASCJPFZGHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S2/c1-9-8-11(10(2)16(9)3)6-7-15-20(17,18)13-5-4-12(14)19-13/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 377.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110415650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).