4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide

C15H17FN4O4S2 — CID 39338201

IUPAC4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O4S2/c16-12-3-5-13(6-4-12)25(21,22)19-18-15-8-7-14(11-17-15)26(23,24)20-9-1-2-10-20/h3-8,11,19H,1-2,9-10H2,(H,17,18)
InChIKeyAPFCAZZASONKGF-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.31
Rot. Bonds6

About 4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide

4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide (PubChem CID 39338201) has the molecular formula C15H17FN4O4S2 and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
PubChem CID39338201
Molecular FormulaC15H17FN4O4S2
Molecular Weight400.46 g/mol
Exact Mass400.07
IUPAC Name4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
SMILESO=S(=O)(NNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O4S2/c16-12-3-5-13(6-4-12)25(21,22)19-18-15-8-7-14(11-17-15)26(23,24)20-9-1-2-10-20/h3-8,11,19H,1-2,9-10H2,(H,17,18)
InChIKeyAPFCAZZASONKGF-UHFFFAOYSA-N
XLogP1.31
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
CID 31580113
4-methyl-N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
CID 31580125
1-phenyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)hydrazine
CID 5267961
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
N'-(4-fluorophenyl)sulfonyl-4-piperidin-1-ylsulfonylbenzohydrazide
CID 1140003
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-cyclopent-3-en-1-yl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133362074
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133446329
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide?
The IUPAC name of 4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide (CID 39338201) is 4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide.
What is the SMILES notation for 4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide?
The canonical SMILES for 4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide is O=S(=O)(NNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide?
The InChIKey is APFCAZZASONKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O4S2/c16-12-3-5-13(6-4-12)25(21,22)19-18-15-8-7-14(11-17-15)26(23,24)20-9-1-2-10-20/h3-8,11,19H,1-2,9-10H2,(H,17,18).
What are the key properties of 4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide?
4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide has a molecular weight of 400.46 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide is sourced from PubChem (CID 39338201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).