(NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine

C22H27N5O5S2 — CID 58441879

IUPAC(NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)/C(=N/O)c2cc(S(=O)(=O)N4CCNCC4)ccc2-3)CC1
InChIInChI=1S/C22H27N5O5S2/c1-25-10-12-27(13-11-25)34(31,32)17-3-5-19-18-4-2-16(14-20(18)22(24-28)21(19)15-17)33(29,30)26-8-6-23-7-9-26/h2-5,14-15,23,28H,6-13H2,1H3/b24-22+
InChIKeyBZJKXMUBJKYBLS-ZNTNEXAZSA-N
MW505.62 g/mol
LogP0.42
Rot. Bonds4

About (NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine

(NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine (PubChem CID 58441879) has the molecular formula C22H27N5O5S2 and a molecular weight of 505.62 g/mol. Its IUPAC name is (NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine
PubChem CID58441879
Molecular FormulaC22H27N5O5S2
Molecular Weight505.62 g/mol
Exact Mass505.15
IUPAC Name(NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)/C(=N/O)c2cc(S(=O)(=O)N4CCNCC4)ccc2-3)CC1
InChIInChI=1S/C22H27N5O5S2/c1-25-10-12-27(13-11-25)34(31,32)17-3-5-19-18-4-2-16(14-20(18)22(24-28)21(19)15-17)33(29,30)26-8-6-23-7-9-26/h2-5,14-15,23,28H,6-13H2,1H3/b24-22+
InChIKeyBZJKXMUBJKYBLS-ZNTNEXAZSA-N
XLogP0.42
TPSA122.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine
CID 1137411
N-[2,7-bis[(4-methylpiperazin-4-ium-1-yl)sulfonyl]fluoren-9-ylidene]hydroxylamine
CID 3340443
methane;(NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine;N'-(4-nitro-3-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 172953810
N-[2,7-bis[(4-methylpiperazin-1-yl)sulfonyl]-4,5-dinitrofluoren-9-ylidene]hydroxylamine
CID 3102969
N-[7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylfluoren-9-ylidene]hydroxylamine
CID 1120272
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119961493

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine (CID 58441879) is (NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine is CN1CCN(S(=O)(=O)c2ccc3c(c2)/C(=N/O)c2cc(S(=O)(=O)N4CCNCC4)ccc2-3)CC1.
What is the InChIKey of (NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine?
The InChIKey is BZJKXMUBJKYBLS-ZNTNEXAZSA-N. The full InChI is InChI=1S/C22H27N5O5S2/c1-25-10-12-27(13-11-25)34(31,32)17-3-5-19-18-4-2-16(14-20(18)22(24-28)21(19)15-17)33(29,30)26-8-6-23-7-9-26/h2-5,14-15,23,28H,6-13H2,1H3/b24-22+.
What are the key properties of (NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine?
(NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine has a molecular weight of 505.62 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine is sourced from PubChem (CID 58441879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).