4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide

C18H21NO4S — CID 110777599

IUPAC4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1cc(C(C)C)ccc1NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C18H21NO4S/c1-12(2)15-7-10-17(18(11-15)23-4)19-24(21,22)16-8-5-14(6-9-16)13(3)20/h5-12,19H,1-4H3
InChIKeyHSOJFVFSZCVEIX-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.82
Rot. Bonds6

About 4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide

4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 110777599) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID110777599
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide
SMILESCOc1cc(C(C)C)ccc1NS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C18H21NO4S/c1-12(2)15-7-10-17(18(11-15)23-4)19-24(21,22)16-8-5-14(6-9-16)13(3)20/h5-12,19H,1-4H3
InChIKeyHSOJFVFSZCVEIX-UHFFFAOYSA-N
XLogP3.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(2-methoxy-4,5-dimethylphenyl)benzenesulfonamide
CID 110776856
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785
N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774306
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
N-(2-bromo-4-propan-2-ylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 3797956
4-acetyl-N-(2-methoxy-3,5-dimethylphenyl)benzenesulfonamide
CID 110777550
4-acetyl-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]benzenesulfonamide
CID 4968859
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982
3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30379464

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide (CID 110777599) is 4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide is COc1cc(C(C)C)ccc1NS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is HSOJFVFSZCVEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12(2)15-7-10-17(18(11-15)23-4)19-24(21,22)16-8-5-14(6-9-16)13(3)20/h5-12,19H,1-4H3.
What are the key properties of 4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide?
4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-methoxy-4-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110777599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).