2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride

C18H21Cl2N3O3S — CID 119678883

IUPAC2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CNc1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN3O3S.ClH/c19-15-5-4-8-17(13-15)26(24,25)22-11-9-21(10-12-22)18(23)14-20-16-6-2-1-3-7-16;/h1-8,13,20H,9-12,14H2;1H
InChIKeyBQSYRJMUMRHVLF-UHFFFAOYSA-N
MW430.36 g/mol
LogP2.71
Rot. Bonds5

About 2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride

2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride (PubChem CID 119678883) has the molecular formula C18H21Cl2N3O3S and a molecular weight of 430.36 g/mol. Its IUPAC name is 2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
PubChem CID119678883
Molecular FormulaC18H21Cl2N3O3S
Molecular Weight430.36 g/mol
Exact Mass429.07
IUPAC Name2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(CNc1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H20ClN3O3S.ClH/c19-15-5-4-8-17(13-15)26(24,25)22-11-9-21(10-12-22)18(23)14-20-16-6-2-1-3-7-16;/h1-8,13,20H,9-12,14H2;1H
InChIKeyBQSYRJMUMRHVLF-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119678771
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-chloro-2-fluoroanilino)ethanone
CID 51490486
2-anilino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119678772
2-anilino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 119687790
1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119678902
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 26204806
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)sulfanylethanone
CID 26870827
4-(3-chlorophenyl)sulfonyl-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110811211
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 27562218
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-nitroanilino)ethanone
CID 9082198

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride (CID 119678883) is 2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride is Cl.O=C(CNc1ccccc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
The InChIKey is BQSYRJMUMRHVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S.ClH/c19-15-5-4-8-17(13-15)26(24,25)22-11-9-21(10-12-22)18(23)14-20-16-6-2-1-3-7-16;/h1-8,13,20H,9-12,14H2;1H.
What are the key properties of 2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride?
2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride has a molecular weight of 430.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119678883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).