4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

C16H16N2O4S — CID 110620835

IUPAC4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)C3CC3)cc2)cn1
InChIInChI=1S/C16H16N2O4S/c1-22-15-9-6-13(10-17-15)18-23(20,21)14-7-4-12(5-8-14)16(19)11-2-3-11/h4-11,18H,2-3H2,1H3
InChIKeyOIQPMVYOYSHEOM-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.48
Rot. Bonds6

About 4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 110620835) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID110620835
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)C3CC3)cc2)cn1
InChIInChI=1S/C16H16N2O4S/c1-22-15-9-6-13(10-17-15)18-23(20,21)14-7-4-12(5-8-14)16(19)11-2-3-11/h4-11,18H,2-3H2,1H3
InChIKeyOIQPMVYOYSHEOM-UHFFFAOYSA-N
XLogP2.48
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62149708
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 81259188
6-(aminomethyl)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 114613006
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
4-[(2-fluorophenyl)sulfamoyl]-N-(6-methoxy-3-pyridinyl)benzamide
CID 4801926
methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate
CID 110424063
6-(ethylamino)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62150604
N-[4-(cyclopropanecarbonyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 110425307
1-N-cyclopropyl-4-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]benzene-1,4-disulfonamide
CID 55895850
2-methoxy-5-(sulfamoylamino)pyridine
CID 112573201
N-(6-methoxy-3-pyridinyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110620781

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 110620835) is 4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)C3CC3)cc2)cn1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is OIQPMVYOYSHEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-22-15-9-6-13(10-17-15)18-23(20,21)14-7-4-12(5-8-14)16(19)11-2-3-11/h4-11,18H,2-3H2,1H3.
What are the key properties of 4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110620835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).