N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide

C16H18N2O4S — CID 135298549

IUPACN'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O4S/c1-12(2)22-14-8-6-7-13(11-14)16(19)17-18-23(20,21)15-9-4-3-5-10-15/h3-12,18H,1-2H3,(H,17,19)
InChIKeyPKVCHAKXMMUDIM-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.10
Rot. Bonds6

About N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide

N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide (PubChem CID 135298549) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide
PubChem CID135298549
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O4S/c1-12(2)22-14-8-6-7-13(11-14)16(19)17-18-23(20,21)15-9-4-3-5-10-15/h3-12,18H,1-2H3,(H,17,19)
InChIKeyPKVCHAKXMMUDIM-UHFFFAOYSA-N
XLogP2.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide (CID 135298549) is N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide is CC(C)Oc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide?
The InChIKey is PKVCHAKXMMUDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12(2)22-14-8-6-7-13(11-14)16(19)17-18-23(20,21)15-9-4-3-5-10-15/h3-12,18H,1-2H3,(H,17,19).
What are the key properties of N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide?
N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide has a molecular weight of 334.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 135298549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).