1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide

C7H13N3O3S — CID 142587941

IUPAC1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide
SMILESCC(O)C(C)n1ccc(S(N)(=O)=O)n1
InChIInChI=1S/C7H13N3O3S/c1-5(6(2)11)10-4-3-7(9-10)14(8,12)13/h3-6,11H,1-2H3,(H2,8,12,13)
InChIKeyGOQZDWZGMJHHRL-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.53
Rot. Bonds3

About 1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide

1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide (PubChem CID 142587941) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide
PubChem CID142587941
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC Name1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide
SMILESCC(O)C(C)n1ccc(S(N)(=O)=O)n1
InChIInChI=1S/C7H13N3O3S/c1-5(6(2)11)10-4-3-7(9-10)14(8,12)13/h3-6,11H,1-2H3,(H2,8,12,13)
InChIKeyGOQZDWZGMJHHRL-UHFFFAOYSA-N
XLogP-0.53
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide?
The IUPAC name of 1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide (CID 142587941) is 1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide.
What is the SMILES notation for 1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide?
The canonical SMILES for 1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide is CC(O)C(C)n1ccc(S(N)(=O)=O)n1.
What is the InChIKey of 1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide?
The InChIKey is GOQZDWZGMJHHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-5(6(2)11)10-4-3-7(9-10)14(8,12)13/h3-6,11H,1-2H3,(H2,8,12,13).
What are the key properties of 1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide?
1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutan-2-yl)pyrazole-3-sulfonamide is sourced from PubChem (CID 142587941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).