N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide

C12H18N2O5S2 — CID 62049563

IUPACN-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)C2CCOCC2)ccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O5S2/c1-9-8-10(2-3-12(9)20(13,15)16)14-21(17,18)11-4-6-19-7-5-11/h2-3,8,11,14H,4-7H2,1H3,(H2,13,15,16)
InChIKeyYPCFIVRUDKALTC-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.56
Rot. Bonds4

About N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide

N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide (PubChem CID 62049563) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide
PubChem CID62049563
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC NameN-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)C2CCOCC2)ccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O5S2/c1-9-8-10(2-3-12(9)20(13,15)16)14-21(17,18)11-4-6-19-7-5-11/h2-3,8,11,14H,4-7H2,1H3,(H2,13,15,16)
InChIKeyYPCFIVRUDKALTC-UHFFFAOYSA-N
XLogP0.56
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide?
The IUPAC name of N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide (CID 62049563) is N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide?
The canonical SMILES for N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide is Cc1cc(NS(=O)(=O)C2CCOCC2)ccc1S(N)(=O)=O.
What is the InChIKey of N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide?
The InChIKey is YPCFIVRUDKALTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-9-8-10(2-3-12(9)20(13,15)16)14-21(17,18)11-4-6-19-7-5-11/h2-3,8,11,14H,4-7H2,1H3,(H2,13,15,16).
What are the key properties of N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide?
N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide has a molecular weight of 334.42 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide is sourced from PubChem (CID 62049563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).