1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide

C7H13N3O3S — CID 171783889

IUPAC1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
SMILESCO[C@H](C)Cn1ccc(S(N)(=O)=O)n1
InChIInChI=1S/C7H13N3O3S/c1-6(13-2)5-10-4-3-7(9-10)14(8,11)12/h3-4,6H,5H2,1-2H3,(H2,8,11,12)/t6-/m1/s1
InChIKeyVQPLQFVOKXEVRM-ZCFIWIBFSA-N
MW219.27 g/mol
LogP-0.43
Rot. Bonds4

About 1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide

1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide (PubChem CID 171783889) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
PubChem CID171783889
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
SMILESCO[C@H](C)Cn1ccc(S(N)(=O)=O)n1
InChIInChI=1S/C7H13N3O3S/c1-6(13-2)5-10-4-3-7(9-10)14(8,11)12/h3-4,6H,5H2,1-2H3,(H2,8,11,12)/t6-/m1/s1
InChIKeyVQPLQFVOKXEVRM-ZCFIWIBFSA-N
XLogP-0.43
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide?
The IUPAC name of 1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide (CID 171783889) is 1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide?
The canonical SMILES for 1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide is CO[C@H](C)Cn1ccc(S(N)(=O)=O)n1.
What is the InChIKey of 1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide?
The InChIKey is VQPLQFVOKXEVRM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-6(13-2)5-10-4-3-7(9-10)14(8,11)12/h3-4,6H,5H2,1-2H3,(H2,8,11,12)/t6-/m1/s1.
What are the key properties of 1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide?
1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 171783889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).