4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

C17H18FN3O4S — CID 9366130

IUPAC4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O4S/c1-11-3-5-13(6-4-11)17(23)20-19-16(22)12(2)21-26(24,25)15-9-7-14(18)8-10-15/h3-10,12,21H,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyOXSBOGSSDKCEJE-LBPRGKRZSA-N
MW379.41 g/mol
LogP1.26
Rot. Bonds5

About 4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide

4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 9366130) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID9366130
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESCc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O4S/c1-11-3-5-13(6-4-11)17(23)20-19-16(22)12(2)21-26(24,25)15-9-7-14(18)8-10-15/h3-10,12,21H,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyOXSBOGSSDKCEJE-LBPRGKRZSA-N
XLogP1.26
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
CID 9327605
N-[(2S)-1-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 98396439
3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 9366029
4-chloro-N-[(2S)-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 34963656
N-[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8870743
N-[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55935778
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-4-chlorobenzenesulfonamide
CID 55347203
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide (CID 9366130) is 4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide is Cc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is OXSBOGSSDKCEJE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-11-3-5-13(6-4-11)17(23)20-19-16(22)12(2)21-26(24,25)15-9-7-14(18)8-10-15/h3-10,12,21H,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide?
4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 379.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 9366130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).