3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide

C20H17NO4S — CID 2451069

IUPAC3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C20H17NO4S/c1-15(22)16-8-7-11-18(14-16)26(23,24)21-19-12-5-6-13-20(19)25-17-9-3-2-4-10-17/h2-14,21H,1H3
InChIKeyWXZXRSDEMDEXMG-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.48
Rot. Bonds6

About 3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide

3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide (PubChem CID 2451069) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide
PubChem CID2451069
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C20H17NO4S/c1-15(22)16-8-7-11-18(14-16)26(23,24)21-19-12-5-6-13-20(19)25-17-9-3-2-4-10-17/h2-14,21H,1H3
InChIKeyWXZXRSDEMDEXMG-UHFFFAOYSA-N
XLogP4.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-[(2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 71903158
3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid
CID 45464935
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
4-(benzenesulfonamido)-3-chloro-N-(2-phenoxyphenyl)benzamide
CID 92672200
3-acetyl-N-(2-benzylsulfanylphenyl)benzenesulfonamide
CID 8824193
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
3-[[(4-acetyl-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24502638
4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 31579159
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
2-[[4-[(2-phenoxyphenyl)sulfamoyl]benzoyl]amino]acetic acid
CID 31475850
1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
CID 1295236

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide (CID 2451069) is 3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c1.
What is the InChIKey of 3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide?
The InChIKey is WXZXRSDEMDEXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-15(22)16-8-7-11-18(14-16)26(23,24)21-19-12-5-6-13-20(19)25-17-9-3-2-4-10-17/h2-14,21H,1H3.
What are the key properties of 3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide?
3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2451069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).