2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene

C8H13ClN2O2S2 — CID 47319008

IUPAC2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene
SMILESCN(C)S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2O2S2/c1-11(2)15(12,13)10-6-5-7-3-4-8(9)14-7/h3-4,10H,5-6H2,1-2H3
InChIKeyIBSJDXHAHIUFQG-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.34
Rot. Bonds5

About 2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene

2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene (PubChem CID 47319008) has the molecular formula C8H13ClN2O2S2 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene
PubChem CID47319008
Molecular FormulaC8H13ClN2O2S2
Molecular Weight268.79 g/mol
Exact Mass268.01
IUPAC Name2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene
SMILESCN(C)S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C8H13ClN2O2S2/c1-11(2)15(12,13)10-6-5-7-3-4-8(9)14-7/h3-4,10H,5-6H2,1-2H3
InChIKeyIBSJDXHAHIUFQG-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene?
The IUPAC name of 2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene (CID 47319008) is 2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene.
What is the SMILES notation for 2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene?
The canonical SMILES for 2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene is CN(C)S(=O)(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene?
The InChIKey is IBSJDXHAHIUFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S2/c1-11(2)15(12,13)10-6-5-7-3-4-8(9)14-7/h3-4,10H,5-6H2,1-2H3.
What are the key properties of 2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene?
2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene has a molecular weight of 268.79 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(dimethylsulfamoylamino)ethyl]thiophene is sourced from PubChem (CID 47319008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).