5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride

C12H13Cl2NO4S — CID 82921961

IUPAC5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)Cl)NCC1CC1
InChIInChI=1S/C12H13Cl2NO4S/c13-9-3-4-10(11(5-9)20(14,17)18)19-7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,16)
InChIKeyBZNKEZHYFIIZOF-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.17
Rot. Bonds6

About 5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride

5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride (PubChem CID 82921961) has the molecular formula C12H13Cl2NO4S and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
PubChem CID82921961
Molecular FormulaC12H13Cl2NO4S
Molecular Weight338.21 g/mol
Exact Mass336.99
IUPAC Name5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)Cl)NCC1CC1
InChIInChI=1S/C12H13Cl2NO4S/c13-9-3-4-10(11(5-9)20(14,17)18)19-7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,16)
InChIKeyBZNKEZHYFIIZOF-UHFFFAOYSA-N
XLogP2.17
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-5-methylbenzenesulfonyl chloride
CID 82909707
4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 61379355
3-bromo-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910326
2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride
CID 82920933
N-(cyclopropylmethyl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82921293
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909
5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921081
N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82913298
5-bromo-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylbenzenesulfonyl chloride
CID 82911753
4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 126853022
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30146041

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride (CID 82921961) is 5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride is O=C(COc1ccc(Cl)cc1S(=O)(=O)Cl)NCC1CC1.
What is the InChIKey of 5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
The InChIKey is BZNKEZHYFIIZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO4S/c13-9-3-4-10(11(5-9)20(14,17)18)19-7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,16).
What are the key properties of 5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride?
5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride has a molecular weight of 338.21 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82921961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).