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

C17H23N3O4S — CID 90622401

IUPAC4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)cc1C
InChIInChI=1S/C17H23N3O4S/c1-13-9-16(3-4-17(13)23-2)25(21,22)19-15-10-18-20(12-15)11-14-5-7-24-8-6-14/h3-4,9-10,12,14,19H,5-8,11H2,1-2H3
InChIKeyBQUVNPWDVFEZDQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.43
Rot. Bonds6

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

4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 90622401) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID90622401
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)cc1C
InChIInChI=1S/C17H23N3O4S/c1-13-9-16(3-4-17(13)23-2)25(21,22)19-15-10-18-20(12-15)11-14-5-7-24-8-6-14/h3-4,9-10,12,14,19H,5-8,11H2,1-2H3
InChIKeyBQUVNPWDVFEZDQ-UHFFFAOYSA-N
XLogP2.43
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622466
4-methoxy-3-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 90597852
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 90622479
3-acetyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622433
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90622431
4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736435
5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide
CID 90622425
4-ethoxy-3-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145415
2-nitro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622410
5-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide
CID 90622453
3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145386
3-fluoro-4-methoxy-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzenesulfonamide
CID 72719683

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide (CID 90622401) is 4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnn(CC3CCOCC3)c2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is BQUVNPWDVFEZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-13-9-16(3-4-17(13)23-2)25(21,22)19-15-10-18-20(12-15)11-14-5-7-24-8-6-14/h3-4,9-10,12,14,19H,5-8,11H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 2.43, 6 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-ylmethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 90622401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).