benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine

C17H23N3O5S2 — CID 25126038

IUPACbenzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine
SMILESNNc1ccc(CS(=O)(=O)N2CCCC2)cc1.O=S(=O)(O)c1ccccc1
InChIInChI=1S/C11H17N3O2S.C6H6O3S/c12-13-11-5-3-10(4-6-11)9-17(15,16)14-7-1-2-8-14;7-10(8,9)6-4-2-1-3-5-6/h3-6,13H,1-2,7-9,12H2;1-5H,(H,7,8,9)
InChIKeyOUJWTJVVNXDLAB-UHFFFAOYSA-N
MW413.52 g/mol
LogP1.83
Rot. Bonds5

About benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine

benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine (PubChem CID 25126038) has the molecular formula C17H23N3O5S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine.

Molecular Properties

Compound Namebenzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine
PubChem CID25126038
Molecular FormulaC17H23N3O5S2
Molecular Weight413.52 g/mol
Exact Mass413.11
IUPAC Namebenzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine
SMILESNNc1ccc(CS(=O)(=O)N2CCCC2)cc1.O=S(=O)(O)c1ccccc1
InChIInChI=1S/C11H17N3O2S.C6H6O3S/c12-13-11-5-3-10(4-6-11)9-17(15,16)14-7-1-2-8-14;7-10(8,9)6-4-2-1-3-5-6/h3-6,13H,1-2,7-9,12H2;1-5H,(H,7,8,9)
InChIKeyOUJWTJVVNXDLAB-UHFFFAOYSA-N
XLogP1.83
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]pyrrolidine
CID 168512260
N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 28633511
(4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 19351291
1,5,9-tris(benzylsulfonyl)-3-methylidene-1,5,9-triazacyclododecane
CID 140984157
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 43909304
N-[4-(naphthalen-1-ylsulfamoyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43904843
N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28569285
N-(1-phenylpropyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43875835
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734
1-benzylsulfonyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]piperidine-4-carboxamide
CID 55690493

Frequently Asked Questions

What is the IUPAC name of benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine?
The IUPAC name of benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine (CID 25126038) is benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine.
What is the SMILES notation for benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine?
The canonical SMILES for benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine is NNc1ccc(CS(=O)(=O)N2CCCC2)cc1.O=S(=O)(O)c1ccccc1.
What is the InChIKey of benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine?
The InChIKey is OUJWTJVVNXDLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S.C6H6O3S/c12-13-11-5-3-10(4-6-11)9-17(15,16)14-7-1-2-8-14;7-10(8,9)6-4-2-1-3-5-6/h3-6,13H,1-2,7-9,12H2;1-5H,(H,7,8,9).
What are the key properties of benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine?
benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine has a molecular weight of 413.52 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonic acid;[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine is sourced from PubChem (CID 25126038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).