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

C14H18ClN5O4S — CID 22592893

IUPACN-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1CNCCN1S(=O)(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H17N5O4S.ClH/c20-14(18-21)13-9-15-7-8-19(13)24(22,23)11-3-1-10(2-4-11)12-5-6-16-17-12;/h1-6,13,15,21H,7-9H2,(H,16,17)(H,18,20);1H
InChIKeyCXDNZLHGOGJWTQ-UHFFFAOYSA-N
MW387.85 g/mol
LogP-0.03
Rot. Bonds4

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

N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride (PubChem CID 22592893) has the molecular formula C14H18ClN5O4S and a molecular weight of 387.85 g/mol. Its IUPAC name is N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride
PubChem CID22592893
Molecular FormulaC14H18ClN5O4S
Molecular Weight387.85 g/mol
Exact Mass387.08
IUPAC NameN-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1CNCCN1S(=O)(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H17N5O4S.ClH/c20-14(18-21)13-9-15-7-8-19(13)24(22,23)11-3-1-10(2-4-11)12-5-6-16-17-12;/h1-6,13,15,21H,7-9H2,(H,16,17)(H,18,20);1H
InChIKeyCXDNZLHGOGJWTQ-UHFFFAOYSA-N
XLogP-0.03
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride (CID 22592893) is N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride is Cl.O=C(NO)C1CNCCN1S(=O)(=O)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride?
The InChIKey is CXDNZLHGOGJWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S.ClH/c20-14(18-21)13-9-15-7-8-19(13)24(22,23)11-3-1-10(2-4-11)12-5-6-16-17-12;/h1-6,13,15,21H,7-9H2,(H,16,17)(H,18,20);1H.
What are the key properties of N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride?
N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride has a molecular weight of 387.85 g/mol, XLogP of -0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 22592893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).