4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one

C14H12Cl2O3S2 — CID 64643110

IUPAC4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C14H12Cl2O3S2/c15-10-5-6-11(16)14(9-10)21(18,19)8-2-3-12(17)13-4-1-7-20-13/h1,4-7,9H,2-3,8H2
InChIKeyRTKYSDBXVXNXLO-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.49
Rot. Bonds6

About 4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one

4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one (PubChem CID 64643110) has the molecular formula C14H12Cl2O3S2 and a molecular weight of 363.29 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one
PubChem CID64643110
Molecular FormulaC14H12Cl2O3S2
Molecular Weight363.29 g/mol
Exact Mass361.96
IUPAC Name4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C14H12Cl2O3S2/c15-10-5-6-11(16)14(9-10)21(18,19)8-2-3-12(17)13-4-1-7-20-13/h1,4-7,9H,2-3,8H2
InChIKeyRTKYSDBXVXNXLO-UHFFFAOYSA-N
XLogP4.49
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylethanone
CID 64643112
4-(2,5-dichlorophenyl)sulfinyl-1-thiophen-2-ylbutan-1-one
CID 64637636
1-(2,4-dichlorophenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126060994
4-butan-2-ylsulfonyl-1-thiophen-2-ylbutan-1-one
CID 64643546
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
CID 60625907
1-thiophen-2-yl-4-(2,4,5-trichlorophenoxy)butan-1-one
CID 60625178
4-(5-chloroindol-1-yl)-1-thiophen-2-ylbutan-1-one
CID 63879726
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
(4-oxo-4-thiophen-2-ylbutyl) 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843773
4-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 62028894
4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 62030266

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one (CID 64643110) is 4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one is O=C(CCCS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one?
The InChIKey is RTKYSDBXVXNXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O3S2/c15-10-5-6-11(16)14(9-10)21(18,19)8-2-3-12(17)13-4-1-7-20-13/h1,4-7,9H,2-3,8H2.
What are the key properties of 4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one?
4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one has a molecular weight of 363.29 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfonyl-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 64643110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).