2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one

C11H15ClO3S2 — CID 64644115

IUPAC2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCCC(C)S(=O)(=O)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClO3S2/c1-4-7(2)17(14,15)8(3)11(13)9-5-6-10(12)16-9/h5-8H,4H2,1-3H3
InChIKeyXJBQTALIYMERPW-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.19
Rot. Bonds5

About 2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one

2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one (PubChem CID 64644115) has the molecular formula C11H15ClO3S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one
PubChem CID64644115
Molecular FormulaC11H15ClO3S2
Molecular Weight294.83 g/mol
Exact Mass294.02
IUPAC Name2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCCC(C)S(=O)(=O)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClO3S2/c1-4-7(2)17(14,15)8(3)11(13)9-5-6-10(12)16-9/h5-8H,4H2,1-3H3
InChIKeyXJBQTALIYMERPW-UHFFFAOYSA-N
XLogP3.19
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide
CID 114233117
2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide
CID 114232220
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-amino-3-(5-chlorothiophen-2-yl)-3-oxopropanoic acid
CID 116920482
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100
2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 82117947
1-(5-chlorothiophen-2-yl)-2-(4-methylpentoxy)propan-1-one
CID 43800457
1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one
CID 43794159

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one (CID 64644115) is 2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one is CCC(C)S(=O)(=O)C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one?
The InChIKey is XJBQTALIYMERPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S2/c1-4-7(2)17(14,15)8(3)11(13)9-5-6-10(12)16-9/h5-8H,4H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one?
2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one has a molecular weight of 294.83 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 64644115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).