2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide

C17H19NO4S — CID 174958314

IUPAC2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H19NO4S/c1-12(2)13-8-10-14(11-9-13)23(20,21)18-17(19)15-6-4-5-7-16(15)22-3/h4-12H,1-3H3,(H,18,19)
InChIKeyJNJCXRLYDFJZPN-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.94
Rot. Bonds5

About 2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide

2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide (PubChem CID 174958314) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide
PubChem CID174958314
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H19NO4S/c1-12(2)13-8-10-14(11-9-13)23(20,21)18-17(19)15-6-4-5-7-16(15)22-3/h4-12H,1-3H3,(H,18,19)
InChIKeyJNJCXRLYDFJZPN-UHFFFAOYSA-N
XLogP2.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 803307
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CID 158137226
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
CID 11279720
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 7574221
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855
3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8523659
N-(5-acetamido-2-methoxyphenyl)sulfonyl-2-methoxybenzamide
CID 75401840
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzamide
CID 47052132

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide?
The IUPAC name of 2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide (CID 174958314) is 2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide is COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide?
The InChIKey is JNJCXRLYDFJZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12(2)13-8-10-14(11-9-13)23(20,21)18-17(19)15-6-4-5-7-16(15)22-3/h4-12H,1-3H3,(H,18,19).
What are the key properties of 2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide?
2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide has a molecular weight of 333.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide is sourced from PubChem (CID 174958314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).