4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide

C15H19BrN2O4S — CID 78879611

IUPAC4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide
SMILESO=C(CCS(=O)(=O)C1CCCC1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O4S/c16-12-7-5-11(6-8-12)15(20)18-17-14(19)9-10-23(21,22)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,19)(H,18,20)
InChIKeySRHNKWZCVUSKAW-UHFFFAOYSA-N
MW403.30 g/mol
LogP1.96
Rot. Bonds5

About 4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide

4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide (PubChem CID 78879611) has the molecular formula C15H19BrN2O4S and a molecular weight of 403.30 g/mol. Its IUPAC name is 4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide
PubChem CID78879611
Molecular FormulaC15H19BrN2O4S
Molecular Weight403.30 g/mol
Exact Mass402.02
IUPAC Name4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide
SMILESO=C(CCS(=O)(=O)C1CCCC1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O4S/c16-12-7-5-11(6-8-12)15(20)18-17-14(19)9-10-23(21,22)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,19)(H,18,20)
InChIKeySRHNKWZCVUSKAW-UHFFFAOYSA-N
XLogP1.96
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-bromo-N'-(2-phenylacetyl)benzohydrazide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide?
The IUPAC name of 4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide (CID 78879611) is 4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide.
What is the SMILES notation for 4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide?
The canonical SMILES for 4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide is O=C(CCS(=O)(=O)C1CCCC1)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide?
The InChIKey is SRHNKWZCVUSKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O4S/c16-12-7-5-11(6-8-12)15(20)18-17-14(19)9-10-23(21,22)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,17,19)(H,18,20).
What are the key properties of 4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide?
4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide has a molecular weight of 403.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(3-cyclopentylsulfonylpropanoyl)benzohydrazide is sourced from PubChem (CID 78879611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).