N'-butylsulfonyl-4-chlorobenzohydrazide

C11H15ClN2O3S — CID 119026815

IUPACN'-butylsulfonyl-4-chlorobenzohydrazide
SMILESCCCCS(=O)(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-8-18(16,17)14-13-11(15)9-4-6-10(12)7-5-9/h4-7,14H,2-3,8H2,1H3,(H,13,15)
InChIKeyZJDPHKQLUYJSRN-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.70
Rot. Bonds6

About N'-butylsulfonyl-4-chlorobenzohydrazide

N'-butylsulfonyl-4-chlorobenzohydrazide (PubChem CID 119026815) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N'-butylsulfonyl-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-butylsulfonyl-4-chlorobenzohydrazide
PubChem CID119026815
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN'-butylsulfonyl-4-chlorobenzohydrazide
SMILESCCCCS(=O)(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-8-18(16,17)14-13-11(15)9-4-6-10(12)7-5-9/h4-7,14H,2-3,8H2,1H3,(H,13,15)
InChIKeyZJDPHKQLUYJSRN-UHFFFAOYSA-N
XLogP1.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-butylsulfonyl-4-chlorobenzohydrazide?
The IUPAC name of N'-butylsulfonyl-4-chlorobenzohydrazide (CID 119026815) is N'-butylsulfonyl-4-chlorobenzohydrazide.
What is the SMILES notation for N'-butylsulfonyl-4-chlorobenzohydrazide?
The canonical SMILES for N'-butylsulfonyl-4-chlorobenzohydrazide is CCCCS(=O)(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-butylsulfonyl-4-chlorobenzohydrazide?
The InChIKey is ZJDPHKQLUYJSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-2-3-8-18(16,17)14-13-11(15)9-4-6-10(12)7-5-9/h4-7,14H,2-3,8H2,1H3,(H,13,15).
What are the key properties of N'-butylsulfonyl-4-chlorobenzohydrazide?
N'-butylsulfonyl-4-chlorobenzohydrazide has a molecular weight of 290.77 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylsulfonyl-4-chlorobenzohydrazide is sourced from PubChem (CID 119026815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).