N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide

C15H21FN2O4S — CID 67597790

IUPACN'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide
SMILESCCS(=O)(=O)N(NC(C)=O)C1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O4S/c1-5-23(20,21)18(17-10(2)19)13-9-15(3,4)22-14-7-6-11(16)8-12(13)14/h6-8,13H,5,9H2,1-4H3,(H,17,19)
InChIKeyWCXOFGZJRYMKMS-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.13
Rot. Bonds4

About N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide

N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide (PubChem CID 67597790) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide
PubChem CID67597790
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC NameN'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide
SMILESCCS(=O)(=O)N(NC(C)=O)C1CC(C)(C)Oc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O4S/c1-5-23(20,21)18(17-10(2)19)13-9-15(3,4)22-14-7-6-11(16)8-12(13)14/h6-8,13H,5,9H2,1-4H3,(H,17,19)
InChIKeyWCXOFGZJRYMKMS-UHFFFAOYSA-N
XLogP2.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
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-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-hexylethanesulfonamide
CID 59941111
(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate
CID 174747498
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
N-[2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
CID 59941103
2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
CID 82080641
4-[butylsulfonyl(methyl)amino]-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
CID 15338757
N-(6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide
CID 21257101
N-[6-(4-bromophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-methylethanesulfonamide
CID 22447236
N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-ethylethanesulfonamide
CID 21257146
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81481079
N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941106

Frequently Asked Questions

What is the IUPAC name of N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide?
The IUPAC name of N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide (CID 67597790) is N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide.
What is the SMILES notation for N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide?
The canonical SMILES for N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide is CCS(=O)(=O)N(NC(C)=O)C1CC(C)(C)Oc2ccc(F)cc21.
What is the InChIKey of N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide?
The InChIKey is WCXOFGZJRYMKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-5-23(20,21)18(17-10(2)19)13-9-15(3,4)22-14-7-6-11(16)8-12(13)14/h6-8,13H,5,9H2,1-4H3,(H,17,19).
What are the key properties of N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide?
N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide has a molecular weight of 344.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylsulfonyl-N'-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetohydrazide is sourced from PubChem (CID 67597790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).