4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride

C10H11Cl2NO4S — CID 82917070

IUPAC4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride
SMILESCC(COc1ccc(S(=O)(=O)Cl)cc1Cl)C(N)=O
InChIInChI=1S/C10H11Cl2NO4S/c1-6(10(13)14)5-17-9-3-2-7(4-8(9)11)18(12,15)16/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyUWSWRLNZINVTAT-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.77
Rot. Bonds5

About 4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride

4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride (PubChem CID 82917070) has the molecular formula C10H11Cl2NO4S and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride
PubChem CID82917070
Molecular FormulaC10H11Cl2NO4S
Molecular Weight312.17 g/mol
Exact Mass310.98
IUPAC Name4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride
SMILESCC(COc1ccc(S(=O)(=O)Cl)cc1Cl)C(N)=O
InChIInChI=1S/C10H11Cl2NO4S/c1-6(10(13)14)5-17-9-3-2-7(4-8(9)11)18(12,15)16/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyUWSWRLNZINVTAT-UHFFFAOYSA-N
XLogP1.77
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2-ethylbutoxy)benzenesulfonyl chloride
CID 82925747
4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorosulfonylbenzoic acid
CID 82910320
4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride
CID 82916908
3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide
CID 82913410
2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid
CID 82921997
4-(3-amino-2-methyl-3-oxopropoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 82910628
3-chloro-4-(3-methylbut-2-enoxy)benzenesulfonyl chloride
CID 82915908
3-chloro-4-[4-(methylamino)-4-oxobutoxy]benzenesulfonyl chloride
CID 82916549
3-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonyl chloride
CID 112588511
3-chloro-4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 106450996
3-acetamido-4-(2-methylpropoxy)benzenesulfonyl chloride
CID 98463977
3-(2-amino-5-methylphenoxy)-2-methylpropanamide
CID 43311815

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride?
The IUPAC name of 4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride (CID 82917070) is 4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride?
The canonical SMILES for 4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride is CC(COc1ccc(S(=O)(=O)Cl)cc1Cl)C(N)=O.
What is the InChIKey of 4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride?
The InChIKey is UWSWRLNZINVTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO4S/c1-6(10(13)14)5-17-9-3-2-7(4-8(9)11)18(12,15)16/h2-4,6H,5H2,1H3,(H2,13,14).
What are the key properties of 4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride?
4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride has a molecular weight of 312.17 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 82917070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).