N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide

C17H24FN3O3S — CID 154838797

IUPACN-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC23CCN(C)CC3)c1
InChIInChI=1S/C17H24FN3O3S/c1-3-19-25(23,24)13-4-5-15(18)14(12-13)16(22)21-11-8-17(21)6-9-20(2)10-7-17/h4-5,12,19H,3,6-11H2,1-2H3
InChIKeyUIYAIFKVDPADQV-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.43
Rot. Bonds4

About N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide

N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide (PubChem CID 154838797) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide
PubChem CID154838797
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC NameN-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC23CCN(C)CC3)c1
InChIInChI=1S/C17H24FN3O3S/c1-3-19-25(23,24)13-4-5-15(18)14(12-13)16(22)21-11-8-17(21)6-9-20(2)10-7-17/h4-5,12,19H,3,6-11H2,1-2H3
InChIKeyUIYAIFKVDPADQV-UHFFFAOYSA-N
XLogP1.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 107162958
ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate
CID 55969219
2-fluoro-5-[(1-methylsulfanylcyclopropyl)methylsulfamoyl]benzoic acid
CID 107266428
N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 48532285
1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257445
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 60544335
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911
N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide
CID 119400509
5-(ethylsulfamoyl)-2-fluoro-N-[(1R,3S,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]benzamide
CID 97335661
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide (CID 154838797) is N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC23CCN(C)CC3)c1.
What is the InChIKey of N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide?
The InChIKey is UIYAIFKVDPADQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-3-19-25(23,24)13-4-5-15(18)14(12-13)16(22)21-11-8-17(21)6-9-20(2)10-7-17/h4-5,12,19H,3,6-11H2,1-2H3.
What are the key properties of N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide?
N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-3-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 154838797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).