4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride

C12H16ClNO4S — CID 82915898

IUPAC4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
SMILESCC(C)NC(=O)C(C)Oc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C12H16ClNO4S/c1-8(2)14-12(15)9(3)18-10-4-6-11(7-5-10)19(13,16)17/h4-9H,1-3H3,(H,14,15)
InChIKeyBBGLOLZBQGAOPA-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.91
Rot. Bonds5

About 4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride

4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride (PubChem CID 82915898) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
PubChem CID82915898
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
SMILESCC(C)NC(=O)C(C)Oc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C12H16ClNO4S/c1-8(2)14-12(15)9(3)18-10-4-6-11(7-5-10)19(13,16)17/h4-9H,1-3H3,(H,14,15)
InChIKeyBBGLOLZBQGAOPA-UHFFFAOYSA-N
XLogP1.91
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82917077
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
2-[4-[1-(methylamino)ethyl]phenoxy]-N-propan-2-ylpropanamide
CID 43279209
(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide
CID 40747363
(2S)-2-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide
CID 7413187
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
2-(6-bromonaphthalen-2-yl)oxy-N-propan-2-ylpropanamide
CID 60517133
2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide
CID 114252443

Frequently Asked Questions

What is the IUPAC name of 4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride?
The IUPAC name of 4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride (CID 82915898) is 4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride.
What is the SMILES notation for 4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride?
The canonical SMILES for 4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride is CC(C)NC(=O)C(C)Oc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride?
The InChIKey is BBGLOLZBQGAOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-8(2)14-12(15)9(3)18-10-4-6-11(7-5-10)19(13,16)17/h4-9H,1-3H3,(H,14,15).
What are the key properties of 4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride?
4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride has a molecular weight of 305.78 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 4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride is sourced from PubChem (CID 82915898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).