N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide

C18H20N2O4S — CID 2952752

IUPACN-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-4-6-15(7-5-13)20-25(22,23)16-10-8-14(9-11-16)19-18(21)17-3-2-12-24-17/h4-11,17,20H,2-3,12H2,1H3,(H,19,21)
InChIKeyMWOGXFFMSWEFLR-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.91
Rot. Bonds5

About N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 2952752) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide
PubChem CID2952752
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-13-4-6-15(7-5-13)20-25(22,23)16-10-8-14(9-11-16)19-18(21)17-3-2-12-24-17/h4-11,17,20H,2-3,12H2,1H3,(H,19,21)
InChIKeyMWOGXFFMSWEFLR-UHFFFAOYSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide (CID 2952752) is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is MWOGXFFMSWEFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13-4-6-15(7-5-13)20-25(22,23)16-10-8-14(9-11-16)19-18(21)17-3-2-12-24-17/h4-11,17,20H,2-3,12H2,1H3,(H,19,21).
What are the key properties of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide?
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 2952752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).