6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide

C12H11N3O5S — CID 61130491

IUPAC6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)c2ccc(=O)oc2)c1
InChIInChI=1S/C12H11N3O5S/c13-21(18,19)15-10-3-1-2-9(6-10)14-12(17)8-4-5-11(16)20-7-8/h1-7,15H,(H,14,17)(H2,13,18,19)
InChIKeyKGHYPHGDTGMTSM-UHFFFAOYSA-N
MW309.30 g/mol
LogP0.51
Rot. Bonds4

About 6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide

6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide (PubChem CID 61130491) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is 6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide
PubChem CID61130491
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Name6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)c2ccc(=O)oc2)c1
InChIInChI=1S/C12H11N3O5S/c13-21(18,19)15-10-3-1-2-9(6-10)14-12(17)8-4-5-11(16)20-7-8/h1-7,15H,(H,14,17)(H2,13,18,19)
InChIKeyKGHYPHGDTGMTSM-UHFFFAOYSA-N
XLogP0.51
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-6-oxopyran-3-carboxamide
CID 110697514
2-bromo-N-[3-(sulfamoylamino)phenyl]furan-3-carboxamide
CID 106853237
3-chloro-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729874
N-[3-(sulfamoylamino)phenyl]thiophene-3-carboxamide
CID 60728385
5-chloro-N-[3-(sulfamoylamino)phenyl]furan-2-carboxamide
CID 60727989
3-methyl-N-[3-(sulfamoylamino)phenyl]furan-2-carboxamide
CID 60728536
2-bromo-N-[3-(sulfamoylamino)phenyl]pyridine-4-carboxamide
CID 103754216
N-(4-hydroxyphenyl)-6-oxopyran-3-carboxamide
CID 28739534
2-iodo-N-[3-(sulfamoylamino)phenyl]benzamide
CID 60729880
methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55559964
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide
CID 55551931
3-(sulfamoylamino)benzamide
CID 57051238

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide (CID 61130491) is 6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide is NS(=O)(=O)Nc1cccc(NC(=O)c2ccc(=O)oc2)c1.
What is the InChIKey of 6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide?
The InChIKey is KGHYPHGDTGMTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c13-21(18,19)15-10-3-1-2-9(6-10)14-12(17)8-4-5-11(16)20-7-8/h1-7,15H,(H,14,17)(H2,13,18,19).
What are the key properties of 6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide?
6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide has a molecular weight of 309.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-(sulfamoylamino)phenyl]pyran-3-carboxamide is sourced from PubChem (CID 61130491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).