benzohydrazide;pentane-1-sulfonamide

C12H21N3O3S — CID 67849298

IUPACbenzohydrazide;pentane-1-sulfonamide
SMILESCCCCCS(N)(=O)=O.NNC(=O)c1ccccc1
InChIInChI=1S/C7H8N2O.C5H13NO2S/c8-9-7(10)6-4-2-1-3-5-6;1-2-3-4-5-9(6,7)8/h1-5H,8H2,(H,9,10);2-5H2,1H3,(H2,6,7,8)
InChIKeyFUOBURLUXZSFJD-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.76
Rot. Bonds5

About benzohydrazide;pentane-1-sulfonamide

benzohydrazide;pentane-1-sulfonamide (PubChem CID 67849298) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is benzohydrazide;pentane-1-sulfonamide.

Molecular Properties

Compound Namebenzohydrazide;pentane-1-sulfonamide
PubChem CID67849298
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Namebenzohydrazide;pentane-1-sulfonamide
SMILESCCCCCS(N)(=O)=O.NNC(=O)c1ccccc1
InChIInChI=1S/C7H8N2O.C5H13NO2S/c8-9-7(10)6-4-2-1-3-5-6;1-2-3-4-5-9(6,7)8/h1-5H,8H2,(H,9,10);2-5H2,1H3,(H2,6,7,8)
InChIKeyFUOBURLUXZSFJD-UHFFFAOYSA-N
XLogP0.76
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzohydrazide;propane
CID 90709051
N-[4-(hydrazinecarbonyl)phenyl]pentane-1-sulfonamide
CID 67849300
benzohydrazide;ethanol;hydrochloride
CID 70295048
benzohydrazide;molybdenum
CID 162076561
pentacosane-1-sulfonamide
CID 149252389
benzamido propane-1-sulfonate
CID 141165676
4-pentylsulfonyl-1-phenylbutan-1-one
CID 107764488
2-butylsulfonylbenzohydrazide
CID 23293458
CID 175918224
CID 175918224
N-[2-(hexadecylsulfonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]benzamide
CID 67685413
hexane;1-phenylethanone
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4-pentoxybenzohydrazide
CID 2727702

Frequently Asked Questions

What is the IUPAC name of benzohydrazide;pentane-1-sulfonamide?
The IUPAC name of benzohydrazide;pentane-1-sulfonamide (CID 67849298) is benzohydrazide;pentane-1-sulfonamide.
What is the SMILES notation for benzohydrazide;pentane-1-sulfonamide?
The canonical SMILES for benzohydrazide;pentane-1-sulfonamide is CCCCCS(N)(=O)=O.NNC(=O)c1ccccc1.
What is the InChIKey of benzohydrazide;pentane-1-sulfonamide?
The InChIKey is FUOBURLUXZSFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C5H13NO2S/c8-9-7(10)6-4-2-1-3-5-6;1-2-3-4-5-9(6,7)8/h1-5H,8H2,(H,9,10);2-5H2,1H3,(H2,6,7,8).
What are the key properties of benzohydrazide;pentane-1-sulfonamide?
benzohydrazide;pentane-1-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzohydrazide;pentane-1-sulfonamide is sourced from PubChem (CID 67849298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).