3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

C15H19N3O4S — CID 71810300

IUPAC3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)c1
InChIInChI=1S/C15H19N3O4S/c1-21-14-3-2-4-15(9-14)23(19,20)17-12-10-16-18(11-12)13-5-7-22-8-6-13/h2-4,9-11,13,17H,5-8H2,1H3
InChIKeySWLUGCXIJCRERZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.04
Rot. Bonds5

About 3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 71810300) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID71810300
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)c1
InChIInChI=1S/C15H19N3O4S/c1-21-14-3-2-4-15(9-14)23(19,20)17-12-10-16-18(11-12)13-5-7-22-8-6-13/h2-4,9-11,13,17H,5-8H2,1H3
InChIKeySWLUGCXIJCRERZ-UHFFFAOYSA-N
XLogP2.04
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 71810300) is 3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)c1.
What is the InChIKey of 3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is SWLUGCXIJCRERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-21-14-3-2-4-15(9-14)23(19,20)17-12-10-16-18(11-12)13-5-7-22-8-6-13/h2-4,9-11,13,17H,5-8H2,1H3.
What are the key properties of 3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 71810300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).