N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide

C6H5BrClNO3S2 — CID 80580140

IUPACN-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C6H5BrClNO3S2/c1-3(10)9-14(11,12)5-2-4(8)6(7)13-5/h2H,1H3,(H,9,10)
InChIKeyTYRYDTXDPHMAOR-UHFFFAOYSA-N
MW318.60 g/mol
LogP1.99
Rot. Bonds2

About N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide

N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide (PubChem CID 80580140) has the molecular formula C6H5BrClNO3S2 and a molecular weight of 318.60 g/mol. Its IUPAC name is N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide
PubChem CID80580140
Molecular FormulaC6H5BrClNO3S2
Molecular Weight318.60 g/mol
Exact Mass316.86
IUPAC NameN-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C6H5BrClNO3S2/c1-3(10)9-14(11,12)5-2-4(8)6(7)13-5/h2H,1H3,(H,9,10)
InChIKeyTYRYDTXDPHMAOR-UHFFFAOYSA-N
XLogP1.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide
CID 115685414
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
CID 80577604
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603
5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]oxyacetamide
CID 112673433
2-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 80577423
methyl 3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-chloropropanoate
CID 103493476
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide
CID 80577530
5-bromo-4-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-sulfonamide
CID 80578090
N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577776

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide?
The IUPAC name of N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide (CID 80580140) is N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide.
What is the SMILES notation for N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide?
The canonical SMILES for N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide is CC(=O)NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide?
The InChIKey is TYRYDTXDPHMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNO3S2/c1-3(10)9-14(11,12)5-2-4(8)6(7)13-5/h2H,1H3,(H,9,10).
What are the key properties of N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide?
N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide has a molecular weight of 318.60 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide is sourced from PubChem (CID 80580140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).