2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide

C14H17N5O4S — CID 57109199

IUPAC2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide
SMILESNC(=O)C1(O)CNCCN1S(=O)(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H17N5O4S/c15-13(20)14(21)9-16-7-8-19(14)24(22,23)11-3-1-10(2-4-11)12-5-6-17-18-12/h1-6,16,21H,7-9H2,(H2,15,20)(H,17,18)
InChIKeyFOSPGJWUYQKUHK-UHFFFAOYSA-N
MW351.39 g/mol
LogP-1.16
Rot. Bonds4

About 2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide

2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide (PubChem CID 57109199) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide
PubChem CID57109199
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC Name2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide
SMILESNC(=O)C1(O)CNCCN1S(=O)(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H17N5O4S/c15-13(20)14(21)9-16-7-8-19(14)24(22,23)11-3-1-10(2-4-11)12-5-6-17-18-12/h1-6,16,21H,7-9H2,(H2,15,20)(H,17,18)
InChIKeyFOSPGJWUYQKUHK-UHFFFAOYSA-N
XLogP-1.16
TPSA141.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide?
The IUPAC name of 2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide (CID 57109199) is 2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide?
The canonical SMILES for 2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide is NC(=O)C1(O)CNCCN1S(=O)(=O)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide?
The InChIKey is FOSPGJWUYQKUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c15-13(20)14(21)9-16-7-8-19(14)24(22,23)11-3-1-10(2-4-11)12-5-6-17-18-12/h1-6,16,21H,7-9H2,(H2,15,20)(H,17,18).
What are the key properties of 2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide?
2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of -1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 57109199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).