N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine

C21H23N3O5S2 — CID 1137411

IUPACN-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine
SMILESO=S(=O)(c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N3CCCC3)ccc1-2)N1CCCC1
InChIInChI=1S/C21H23N3O5S2/c25-22-21-19-13-15(30(26,27)23-9-1-2-10-23)5-7-17(19)18-8-6-16(14-20(18)21)31(28,29)24-11-3-4-12-24/h5-8,13-14,25H,1-4,9-12H2
InChIKeyMTCZXZQNRRRNDB-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.46
Rot. Bonds4

About N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine

N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine (PubChem CID 1137411) has the molecular formula C21H23N3O5S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine
PubChem CID1137411
Molecular FormulaC21H23N3O5S2
Molecular Weight461.57 g/mol
Exact Mass461.11
IUPAC NameN-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine
SMILESO=S(=O)(c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N3CCCC3)ccc1-2)N1CCCC1
InChIInChI=1S/C21H23N3O5S2/c25-22-21-19-13-15(30(26,27)23-9-1-2-10-23)5-7-17(19)18-8-6-16(14-20(18)21)31(28,29)24-11-3-4-12-24/h5-8,13-14,25H,1-4,9-12H2
InChIKeyMTCZXZQNRRRNDB-UHFFFAOYSA-N
XLogP2.46
TPSA107.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-[2,7-bis[(4-methylpiperazin-4-ium-1-yl)sulfonyl]fluoren-9-ylidene]hydroxylamine
CID 3340443
2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
CID 2802043
(NE)-N-[2-(4-methylpiperazin-1-yl)sulfonyl-7-piperazin-1-ylsulfonylfluoren-9-ylidene]hydroxylamine
CID 58441879
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-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
2,7-bis(1,4-oxazepan-4-ylsulfonyl)anthracene-9,10-dione
CID 46851999
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
5-(azepan-1-ylsulfonyl)-2,3-dihydro-1H-isoindole
CID 107421717
1-[(9Z)-7-(4,4-dimethylcyclohexyl)sulfonyl-9-hydroxyiminofluoren-2-yl]sulfonyl-4-(4-fluoro-2-hydroxyphenyl)piperidin-4-ol
CID 155077314
2-[4-[(9E)-7-(4,4-dimethylcyclohexyl)sulfonyl-9-hydroxyiminofluoren-2-yl]sulfonylpiperazin-1-yl]-4,5-difluorophenol
CID 145284794
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959

Frequently Asked Questions

What is the IUPAC name of N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine?
The IUPAC name of N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine (CID 1137411) is N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine.
What is the SMILES notation for N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine?
The canonical SMILES for N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine is O=S(=O)(c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N3CCCC3)ccc1-2)N1CCCC1.
What is the InChIKey of N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine?
The InChIKey is MTCZXZQNRRRNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S2/c25-22-21-19-13-15(30(26,27)23-9-1-2-10-23)5-7-17(19)18-8-6-16(14-20(18)21)31(28,29)24-11-3-4-12-24/h5-8,13-14,25H,1-4,9-12H2.
What are the key properties of N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine?
N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine has a molecular weight of 461.57 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine is sourced from PubChem (CID 1137411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).