2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride

C16H22ClN5O3S — CID 119945720

IUPAC2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3N)CC2)cn1
InChIInChI=1S/C16H21N5O3S.ClH/c1-20-11-13(10-18-20)25(23,24)21-8-6-12(7-9-21)19-16(22)14-4-2-3-5-15(14)17;/h2-5,10-12H,6-9,17H2,1H3,(H,19,22);1H
InChIKeyGTDPSRJCWUVFPN-UHFFFAOYSA-N
MW399.90 g/mol
LogP1.01
Rot. Bonds4

About 2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride

2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride (PubChem CID 119945720) has the molecular formula C16H22ClN5O3S and a molecular weight of 399.90 g/mol. Its IUPAC name is 2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride
PubChem CID119945720
Molecular FormulaC16H22ClN5O3S
Molecular Weight399.90 g/mol
Exact Mass399.11
IUPAC Name2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3N)CC2)cn1
InChIInChI=1S/C16H21N5O3S.ClH/c1-20-11-13(10-18-20)25(23,24)21-8-6-12(7-9-21)19-16(22)14-4-2-3-5-15(14)17;/h2-5,10-12H,6-9,17H2,1H3,(H,19,22);1H
InChIKeyGTDPSRJCWUVFPN-UHFFFAOYSA-N
XLogP1.01
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide
CID 120635627
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
2-amino-2-(4-methylphenyl)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]acetamide
CID 120668801
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119944177
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 75373223
(2R)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 97215975
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053952
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 74238790
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119801204

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride (CID 119945720) is 2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3N)CC2)cn1.
What is the InChIKey of 2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride?
The InChIKey is GTDPSRJCWUVFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S.ClH/c1-20-11-13(10-18-20)25(23,24)21-8-6-12(7-9-21)19-16(22)14-4-2-3-5-15(14)17;/h2-5,10-12H,6-9,17H2,1H3,(H,19,22);1H.
What are the key properties of 2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride?
2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride has a molecular weight of 399.90 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119945720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).