5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride

C8H12ClNO4S3 — CID 24689074

IUPAC5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESCCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C8H12ClNO4S3/c1-2-16(11,12)10-6-5-7-3-4-8(15-7)17(9,13)14/h3-4,10H,2,5-6H2,1H3
InChIKeyYTPVOISWMUEDPJ-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.16
Rot. Bonds6

About 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride

5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride (PubChem CID 24689074) has the molecular formula C8H12ClNO4S3 and a molecular weight of 317.84 g/mol. Its IUPAC name is 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
PubChem CID24689074
Molecular FormulaC8H12ClNO4S3
Molecular Weight317.84 g/mol
Exact Mass316.96
IUPAC Name5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESCCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C8H12ClNO4S3/c1-2-16(11,12)10-6-5-7-3-4-8(15-7)17(9,13)14/h3-4,10H,2,5-6H2,1H3
InChIKeyYTPVOISWMUEDPJ-UHFFFAOYSA-N
XLogP1.16
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide
CID 4293
N-cyclopropyl-5-methyl-2-thiophenesulfonamide
CID 2241003
US10807974, Example 9
CID 130344870
(5-Thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride
CID 130345102
US10807974, Example 5
CID 130358172
5-(Aminomethyl)thiophene-2-sulfonamide
CID 4961814
Benzenesulfonamide, N-(2-thienylmethyl)-
CID 2820601
N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide
CID 712013
N-[2-(Benzenesulfonyl)-2-(thiophen-2-YL)ethyl]benzenesulfonamide
CID 16032970
US10807974, Example 3
CID 130345075
US10807974, Example 18
CID 130358016
US10807974, Example 10
CID 130358395

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride (CID 24689074) is 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride is CCS(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is YTPVOISWMUEDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO4S3/c1-2-16(11,12)10-6-5-7-3-4-8(15-7)17(9,13)14/h3-4,10H,2,5-6H2,1H3.
What are the key properties of 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 317.84 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 24689074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).