4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride

C14H18ClNO4S — CID 82911512

IUPAC4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride
SMILESCc1cc(OCC(=O)NC2CCCC2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C14H18ClNO4S/c1-10-8-12(6-7-13(10)21(15,18)19)20-9-14(17)16-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17)
InChIKeyCAGWDDWOOKRODL-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.36
Rot. Bonds5

About 4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride

4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride (PubChem CID 82911512) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride
PubChem CID82911512
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride
SMILESCc1cc(OCC(=O)NC2CCCC2)ccc1S(=O)(=O)Cl
InChIInChI=1S/C14H18ClNO4S/c1-10-8-12(6-7-13(10)21(15,18)19)20-9-14(17)16-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17)
InChIKeyCAGWDDWOOKRODL-UHFFFAOYSA-N
XLogP2.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 134007945
4-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-2-methylbenzenesulfonyl chloride
CID 82916560
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
N-cyclopentyl-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 104982186
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
4-[2-(cyclopropylamino)-2-oxoethoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 82910359
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
cis-(1S,3R)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677149
N-cyclopentyl-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 4574357

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride (CID 82911512) is 4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride is Cc1cc(OCC(=O)NC2CCCC2)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride?
The InChIKey is CAGWDDWOOKRODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-10-8-12(6-7-13(10)21(15,18)19)20-9-14(17)16-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17).
What are the key properties of 4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride?
4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride has a molecular weight of 331.82 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylamino)-2-oxoethoxy]-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82911512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).