5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride

C10H16ClNO4S3 — CID 63687132

IUPAC5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESCC(C)(C)S(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H16ClNO4S3/c1-10(2,3)19(15,16)12-7-6-8-4-5-9(17-8)18(11,13)14/h4-5,12H,6-7H2,1-3H3
InChIKeyUPSYJRKSHJOLBF-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.94
Rot. Bonds5

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

5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride (PubChem CID 63687132) has the molecular formula C10H16ClNO4S3 and a molecular weight of 345.90 g/mol. Its IUPAC name is 5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
PubChem CID63687132
Molecular FormulaC10H16ClNO4S3
Molecular Weight345.90 g/mol
Exact Mass344.99
IUPAC Name5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
SMILESCC(C)(C)S(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H16ClNO4S3/c1-10(2,3)19(15,16)12-7-6-8-4-5-9(17-8)18(11,13)14/h4-5,12H,6-7H2,1-3H3
InChIKeyUPSYJRKSHJOLBF-UHFFFAOYSA-N
XLogP1.94
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride
CID 63687488
5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 55014305
5-[2-[(2-methylpyrazol-3-yl)sulfonylamino]ethyl]thiophene-2-sulfonyl chloride
CID 104709821
5-[2-(2-ethylhexanoylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43125512
5-[2-(3-methylpentan-3-ylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 106331485
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
5-[2-(oxolane-2-carbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43110787
5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43098333
N-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 103466053
5-[2-[(2-iodobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 43095043
5-[2-[(2-bromobenzoyl)amino]ethyl]thiophene-2-sulfonyl chloride
CID 43110433
5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 55014443

Frequently Asked Questions

What is the IUPAC name of 5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride (CID 63687132) is 5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride is CC(C)(C)S(=O)(=O)NCCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is UPSYJRKSHJOLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO4S3/c1-10(2,3)19(15,16)12-7-6-8-4-5-9(17-8)18(11,13)14/h4-5,12H,6-7H2,1-3H3.
What are the key properties of 5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride?
5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 345.90 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 63687132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).