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

C10H11BrN2O2S3 — CID 112697358

IUPAC5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ccc(Br)s2)s1
InChIInChI=1S/C10H11BrN2O2S3/c1-6-5-12-10(16-6)7(2)13-18(14,15)9-4-3-8(11)17-9/h3-5,7,13H,1-2H3
InChIKeyRYZPAGROPDAIPM-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.32
Rot. Bonds4

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

5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 112697358) has the molecular formula C10H11BrN2O2S3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID112697358
Molecular FormulaC10H11BrN2O2S3
Molecular Weight367.32 g/mol
Exact Mass365.92
IUPAC Name5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ccc(Br)s2)s1
InChIInChI=1S/C10H11BrN2O2S3/c1-6-5-12-10(16-6)7(2)13-18(14,15)9-4-3-8(11)17-9/h3-5,7,13H,1-2H3
InChIKeyRYZPAGROPDAIPM-UHFFFAOYSA-N
XLogP3.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103171734
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 113251866
4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115681422
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909
5-bromo-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 51169859
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 62844793
3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 105359223
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115681420
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide (CID 112697358) is 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2ccc(Br)s2)s1.
What is the InChIKey of 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is RYZPAGROPDAIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S3/c1-6-5-12-10(16-6)7(2)13-18(14,15)9-4-3-8(11)17-9/h3-5,7,13H,1-2H3.
What are the key properties of 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 367.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112697358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).