2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride

C18H21ClN4O4S — CID 120731351

IUPAC2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride
SMILESCl.NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H20N4O4S.ClH/c19-17(23)12-27(25,26)15-5-3-13(4-6-15)18(24)22-9-8-21-11-16(22)14-2-1-7-20-10-14;/h1-7,10,16,21H,8-9,11-12H2,(H2,19,23);1H
InChIKeyZFBBFBKEAONTNW-UHFFFAOYSA-N
MW424.91 g/mol
LogP0.55
Rot. Bonds5

About 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride

2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride (PubChem CID 120731351) has the molecular formula C18H21ClN4O4S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride
PubChem CID120731351
Molecular FormulaC18H21ClN4O4S
Molecular Weight424.91 g/mol
Exact Mass424.10
IUPAC Name2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride
SMILESCl.NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H20N4O4S.ClH/c19-17(23)12-27(25,26)15-5-3-13(4-6-15)18(24)22-9-8-21-11-16(22)14-2-1-7-20-10-14;/h1-7,10,16,21H,8-9,11-12H2,(H2,19,23);1H
InChIKeyZFBBFBKEAONTNW-UHFFFAOYSA-N
XLogP0.55
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120729201
[4-(difluoromethylsulfonylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729050
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729058
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
[4-(4-ethylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120732288
[4-(imidazol-1-ylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730841
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729059
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride?
The IUPAC name of 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride (CID 120731351) is 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride.
What is the SMILES notation for 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride?
The canonical SMILES for 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride is Cl.NC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride?
The InChIKey is ZFBBFBKEAONTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S.ClH/c19-17(23)12-27(25,26)15-5-3-13(4-6-15)18(24)22-9-8-21-11-16(22)14-2-1-7-20-10-14;/h1-7,10,16,21H,8-9,11-12H2,(H2,19,23);1H.
What are the key properties of 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride?
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride has a molecular weight of 424.91 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride is sourced from PubChem (CID 120731351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).