3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide

C19H27N3O4S — CID 51598559

IUPAC3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1
InChIInChI=1S/C19H27N3O4S/c1-14(2)22-12-19(15(3)20-22)27(23,24)21-17-9-4-5-10-18(17)26-13-16-8-6-7-11-25-16/h4-5,9-10,12,14,16,21H,6-8,11,13H2,1-3H3/t16-/m1/s1
InChIKeyVPRGXBUWFVEJJL-MRXNPFEDSA-N
MW393.51 g/mol
LogP3.52
Rot. Bonds7

About 3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide

3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 51598559) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID51598559
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)cc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1
InChIInChI=1S/C19H27N3O4S/c1-14(2)22-12-19(15(3)20-22)27(23,24)21-17-9-4-5-10-18(17)26-13-16-8-6-7-11-25-16/h4-5,9-10,12,14,16,21H,6-8,11,13H2,1-3H3/t16-/m1/s1
InChIKeyVPRGXBUWFVEJJL-MRXNPFEDSA-N
XLogP3.52
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(2-methylbenzimidazol-1-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide
CID 46968957
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CID 51587539
N-(2-ethoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
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3-tert-butyl-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
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CID 60577378
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 51598559) is 3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)cc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1.
What is the InChIKey of 3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is VPRGXBUWFVEJJL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14(2)22-12-19(15(3)20-22)27(23,24)21-17-9-4-5-10-18(17)26-13-16-8-6-7-11-25-16/h4-5,9-10,12,14,16,21H,6-8,11,13H2,1-3H3/t16-/m1/s1.
What are the key properties of 3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide?
3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 51598559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).