3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide

C20H16ClNO4S — CID 2825046

IUPAC3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)c1ccccc1
InChIInChI=1S/C20H16ClNO4S/c21-18-13-17(27(24,25)22-16-9-5-2-6-10-16)11-12-20(18)26-14-19(23)15-7-3-1-4-8-15/h1-13,22H,14H2
InChIKeyIITYBFSBVMEZEX-UHFFFAOYSA-N
MW401.87 g/mol
LogP4.40
Rot. Bonds7

About 3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide

3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide (PubChem CID 2825046) has the molecular formula C20H16ClNO4S and a molecular weight of 401.87 g/mol. Its IUPAC name is 3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide
PubChem CID2825046
Molecular FormulaC20H16ClNO4S
Molecular Weight401.87 g/mol
Exact Mass401.05
IUPAC Name3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)c1ccccc1
InChIInChI=1S/C20H16ClNO4S/c21-18-13-17(27(24,25)22-16-9-5-2-6-10-16)11-12-20(18)26-14-19(23)15-7-3-1-4-8-15/h1-13,22H,14H2
InChIKeyIITYBFSBVMEZEX-UHFFFAOYSA-N
XLogP4.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.87
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43875156
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
2-[2-chloro-4-(phenylsulfamoyl)phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873726
methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 2206278
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
CID 7342391
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
3-[(3,4-dichlorophenyl)sulfonylamino]benzoic acid
CID 2234493
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873766
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
3-(phenylsulfamoyl)benzoyl chloride
CID 22137852
4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
CID 40975726

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide (CID 2825046) is 3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide is O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)c1ccccc1.
What is the InChIKey of 3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide?
The InChIKey is IITYBFSBVMEZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4S/c21-18-13-17(27(24,25)22-16-9-5-2-6-10-16)11-12-20(18)26-14-19(23)15-7-3-1-4-8-15/h1-13,22H,14H2.
What are the key properties of 3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide?
3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide has a molecular weight of 401.87 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-phenacyloxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2825046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).