2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride

C19H26Cl2N4O3S — CID 119946153

IUPAC2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccccc3N)c2)CC1.Cl.Cl
InChIInChI=1S/C19H24N4O3S.2ClH/c1-2-22-10-12-23(13-11-22)27(25,26)16-7-5-6-15(14-16)21-19(24)17-8-3-4-9-18(17)20;;/h3-9,14H,2,10-13,20H2,1H3,(H,21,24);2*1H
InChIKeyZCRNTTGEIAUUKB-UHFFFAOYSA-N
MW461.42 g/mol
LogP2.69
Rot. Bonds5

About 2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride

2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride (PubChem CID 119946153) has the molecular formula C19H26Cl2N4O3S and a molecular weight of 461.42 g/mol. Its IUPAC name is 2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride
PubChem CID119946153
Molecular FormulaC19H26Cl2N4O3S
Molecular Weight461.42 g/mol
Exact Mass460.11
IUPAC Name2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccccc3N)c2)CC1.Cl.Cl
InChIInChI=1S/C19H24N4O3S.2ClH/c1-2-22-10-12-23(13-11-22)27(25,26)16-7-5-6-15(14-16)21-19(24)17-8-3-4-9-18(17)20;;/h3-9,14H,2,10-13,20H2,1H3,(H,21,24);2*1H
InChIKeyZCRNTTGEIAUUKB-UHFFFAOYSA-N
XLogP2.69
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 119946832
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide
CID 32999319
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55910713
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686688
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43029814
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 109064326
(2S,4S)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120639924
1-tert-butyl-5-cyclopropyl-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]pyrazole-3-carboxamide
CID 55876153
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830904
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 37052931
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]oxolane-2-carboxamide
CID 55374541
5-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 55638960

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride (CID 119946153) is 2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride is CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccccc3N)c2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride?
The InChIKey is ZCRNTTGEIAUUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S.2ClH/c1-2-22-10-12-23(13-11-22)27(25,26)16-7-5-6-15(14-16)21-19(24)17-8-3-4-9-18(17)20;;/h3-9,14H,2,10-13,20H2,1H3,(H,21,24);2*1H.
What are the key properties of 2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride?
2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride has a molecular weight of 461.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).