2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride

C10H11Cl2NO4S — CID 82922031

IUPAC2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride
SMILESCCC(Oc1ccc(Cl)cc1S(=O)(=O)Cl)C(N)=O
InChIInChI=1S/C10H11Cl2NO4S/c1-2-7(10(13)14)17-8-4-3-6(11)5-9(8)18(12,15)16/h3-5,7H,2H2,1H3,(H2,13,14)
InChIKeyYTLKXVCJTQOKOE-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.91
Rot. Bonds5

About 2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride

2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride (PubChem CID 82922031) has the molecular formula C10H11Cl2NO4S and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride
PubChem CID82922031
Molecular FormulaC10H11Cl2NO4S
Molecular Weight312.17 g/mol
Exact Mass310.98
IUPAC Name2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride
SMILESCCC(Oc1ccc(Cl)cc1S(=O)(=O)Cl)C(N)=O
InChIInChI=1S/C10H11Cl2NO4S/c1-2-7(10(13)14)17-8-4-3-6(11)5-9(8)18(12,15)16/h3-5,7H,2H2,1H3,(H2,13,14)
InChIKeyYTLKXVCJTQOKOE-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenoxy)butanamide
CID 62901251
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]butanamide
CID 55132194
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
CID 63056882
2-(2-carbamothioyl-5-chlorophenoxy)butanamide
CID 113277371
5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
CID 107889750
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
2-[1-(butylamino)-1-oxopropan-2-yl]oxy-5-chlorobenzenesulfonyl chloride
CID 82911347
4-(1-amino-1-oxobutan-2-yl)oxy-2-methyl-5-nitrobenzenesulfonyl chloride
CID 82912550
4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride
CID 82916384
4-(1-amino-1-oxobutan-2-yl)oxy-3-chlorobenzoic acid
CID 62900576
4-(1-amino-1-oxobutan-2-yl)oxy-2,6-dimethylbenzenesulfonyl chloride
CID 82921535
2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride
CID 82920933

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride?
The IUPAC name of 2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride (CID 82922031) is 2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride?
The canonical SMILES for 2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride is CCC(Oc1ccc(Cl)cc1S(=O)(=O)Cl)C(N)=O.
What is the InChIKey of 2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride?
The InChIKey is YTLKXVCJTQOKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO4S/c1-2-7(10(13)14)17-8-4-3-6(11)5-9(8)18(12,15)16/h3-5,7H,2H2,1H3,(H2,13,14).
What are the key properties of 2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride?
2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride has a molecular weight of 312.17 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 82922031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).