3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide

C16H21N3O4S — CID 121145386

IUPAC3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cnn(CC3CCCCO3)c2)c1
InChIInChI=1S/C16H21N3O4S/c1-22-14-6-4-7-16(9-14)24(20,21)18-13-10-17-19(11-13)12-15-5-2-3-8-23-15/h4,6-7,9-11,15,18H,2-3,5,8,12H2,1H3
InChIKeyVNQFVYHGWXJIGG-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.26
Rot. Bonds6

About 3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide

3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 121145386) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID121145386
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cnn(CC3CCCCO3)c2)c1
InChIInChI=1S/C16H21N3O4S/c1-22-14-6-4-7-16(9-14)24(20,21)18-13-10-17-19(11-13)12-15-5-2-3-8-23-15/h4,6-7,9-11,15,18H,2-3,5,8,12H2,1H3
InChIKeyVNQFVYHGWXJIGG-UHFFFAOYSA-N
XLogP2.26
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 129356517
4-ethoxy-3-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121145415
2-fluoro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 121017030
3-methoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 71810300
1-(3-methylphenyl)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]methanesulfonamide
CID 129354832
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]cyclopropanesulfonamide
CID 129355346
2,5-dichloro-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 129356355
2,5-dichloro-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 129356354
1-(3-methoxyphenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 121145243
3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 129355197
4-tert-butyl-2,6-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide
CID 52528885
2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide (CID 121145386) is 3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2cnn(CC3CCCCO3)c2)c1.
What is the InChIKey of 3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is VNQFVYHGWXJIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-22-14-6-4-7-16(9-14)24(20,21)18-13-10-17-19(11-13)12-15-5-2-3-8-23-15/h4,6-7,9-11,15,18H,2-3,5,8,12H2,1H3.
What are the key properties of 3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
3-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 2.26, 6 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-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 121145386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).