4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide

C18H22FN3O3S — CID 66908678

IUPAC4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide
SMILESCc1cc(C(=O)NN)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1F
InChIInChI=1S/C18H22FN3O3S/c1-11-9-14(17(23)21-20)16(10-15(11)19)22-26(24,25)13-7-5-12(6-8-13)18(2,3)4/h5-10,22H,20H2,1-4H3,(H,21,23)
InChIKeyIGJAIWCSLJATTD-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.84
Rot. Bonds4

About 4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide

4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide (PubChem CID 66908678) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide
PubChem CID66908678
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC Name4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide
SMILESCc1cc(C(=O)NN)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1F
InChIInChI=1S/C18H22FN3O3S/c1-11-9-14(17(23)21-20)16(10-15(11)19)22-26(24,25)13-7-5-12(6-8-13)18(2,3)4/h5-10,22H,20H2,1-4H3,(H,21,23)
InChIKeyIGJAIWCSLJATTD-UHFFFAOYSA-N
XLogP2.84
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide (CID 66908678) is 4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide is Cc1cc(C(=O)NN)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1F.
What is the InChIKey of 4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide?
The InChIKey is IGJAIWCSLJATTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c1-11-9-14(17(23)21-20)16(10-15(11)19)22-26(24,25)13-7-5-12(6-8-13)18(2,3)4/h5-10,22H,20H2,1-4H3,(H,21,23).
What are the key properties of 4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide?
4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide has a molecular weight of 379.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-fluoro-2-(hydrazinecarbonyl)-4-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 66908678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).