4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide

C17H19ClFN3O2S — CID 143613948

IUPAC4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide
SMILESCC(C)(C)c1ccc(S(=O)Nc2cc(F)c(Cl)cc2C(=O)NN)cc1
InChIInChI=1S/C17H19ClFN3O2S/c1-17(2,3)10-4-6-11(7-5-10)25(24)22-15-9-14(19)13(18)8-12(15)16(23)21-20/h4-9,22H,20H2,1-3H3,(H,21,23)
InChIKeyFJFAHOZTMKCKLN-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.51
Rot. Bonds4

About 4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide

4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide (PubChem CID 143613948) has the molecular formula C17H19ClFN3O2S and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide
PubChem CID143613948
Molecular FormulaC17H19ClFN3O2S
Molecular Weight383.88 g/mol
Exact Mass383.09
IUPAC Name4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide
SMILESCC(C)(C)c1ccc(S(=O)Nc2cc(F)c(Cl)cc2C(=O)NN)cc1
InChIInChI=1S/C17H19ClFN3O2S/c1-17(2,3)10-4-6-11(7-5-10)25(24)22-15-9-14(19)13(18)8-12(15)16(23)21-20/h4-9,22H,20H2,1-3H3,(H,21,23)
InChIKeyFJFAHOZTMKCKLN-UHFFFAOYSA-N
XLogP3.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

4-tert-butyl-N-(4-chloro-5-fluoro-2-methylphenyl)benzenesulfinamide
CID 143780525
2,5-dichlorobenzene-1,4-dicarbohydrazide
CID 124926031
1-N-(4-tert-butylphenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66077387
5-tert-butyl-2-hydroxybenzohydrazide
CID 21447983
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 115736609
1-(4-tert-butylphenyl)sulfinyl-3-(4-chlorophenyl)urea
CID 10665600
5-tert-butyl-2-chloro-N-methylbenzamide
CID 59485577
N-[N'-(4-tert-butylphenyl)carbamimidoyl]-2,5-dichlorobenzamide
CID 135960418
(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid
CID 130713709
4-tert-butyl-N-[7-chloro-2-(5-fluoro-2-pyridinyl)-1,3-dioxoisoindol-4-yl]benzenesulfinamide
CID 123510404
4-tert-butyl-N-[7-chloro-2-[(2-methoxy-4-pyridinyl)methyl]-1,3-dioxoisoindol-4-yl]benzenesulfinamide
CID 137447621

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide?
The IUPAC name of 4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide (CID 143613948) is 4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide.
What is the SMILES notation for 4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide?
The canonical SMILES for 4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide is CC(C)(C)c1ccc(S(=O)Nc2cc(F)c(Cl)cc2C(=O)NN)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide?
The InChIKey is FJFAHOZTMKCKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O2S/c1-17(2,3)10-4-6-11(7-5-10)25(24)22-15-9-14(19)13(18)8-12(15)16(23)21-20/h4-9,22H,20H2,1-3H3,(H,21,23).
What are the key properties of 4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide?
4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide has a molecular weight of 383.88 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-chloro-5-fluoro-2-(hydrazinecarbonyl)phenyl]benzenesulfinamide is sourced from PubChem (CID 143613948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).