N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide

C16H14FN5O3S — CID 135298649

IUPACN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide
SMILESCc1cc(-n2nccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C16H14FN5O3S/c1-11-9-12(22-18-7-8-19-22)10-14(15(11)17)16(23)20-21-26(24,25)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,20,23)
InChIKeyVOTAKFAKQLJZRE-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.34
Rot. Bonds5

About N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide

N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide (PubChem CID 135298649) has the molecular formula C16H14FN5O3S and a molecular weight of 375.39 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide
PubChem CID135298649
Molecular FormulaC16H14FN5O3S
Molecular Weight375.39 g/mol
Exact Mass375.08
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide
SMILESCc1cc(-n2nccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C16H14FN5O3S/c1-11-9-12(22-18-7-8-19-22)10-14(15(11)17)16(23)20-21-26(24,25)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,20,23)
InChIKeyVOTAKFAKQLJZRE-UHFFFAOYSA-N
XLogP1.34
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide (CID 135298649) is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide is Cc1cc(-n2nccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide?
The InChIKey is VOTAKFAKQLJZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3S/c1-11-9-12(22-18-7-8-19-22)10-14(15(11)17)16(23)20-21-26(24,25)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,20,23).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide has a molecular weight of 375.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-(triazol-2-yl)benzohydrazide is sourced from PubChem (CID 135298649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).