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

C16H21N3O4S — CID 90597852

IUPAC4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)cc1C
InChIInChI=1S/C16H21N3O4S/c1-12-9-15(3-4-16(12)22-2)24(20,21)18-13-10-17-19(11-13)14-5-7-23-8-6-14/h3-4,9-11,14,18H,5-8H2,1-2H3
InChIKeyHBPNWELTYLMWFU-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.35
Rot. Bonds5

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

4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 90597852) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID90597852
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)cc1C
InChIInChI=1S/C16H21N3O4S/c1-12-9-15(3-4-16(12)22-2)24(20,21)18-13-10-17-19(11-13)14-5-7-23-8-6-14/h3-4,9-11,14,18H,5-8H2,1-2H3
InChIKeyHBPNWELTYLMWFU-UHFFFAOYSA-N
XLogP2.35
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 90597852) is 4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is HBPNWELTYLMWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-12-9-15(3-4-16(12)22-2)24(20,21)18-13-10-17-19(11-13)14-5-7-23-8-6-14/h3-4,9-11,14,18H,5-8H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 90597852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).