N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide

C23H27FN2O3S — CID 55864349

IUPACN-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C2CC2)C2CCc3ccccc32)c1
InChIInChI=1S/C23H27FN2O3S/c1-3-25(4-2)30(28,29)18-12-13-21(24)20(15-18)23(27)26(17-10-11-17)22-14-9-16-7-5-6-8-19(16)22/h5-8,12-13,15,17,22H,3-4,9-11,14H2,1-2H3
InChIKeyIVKHOAQTRQCEBG-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.15
Rot. Bonds7

About N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide

N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide (PubChem CID 55864349) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide
PubChem CID55864349
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC NameN-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C2CC2)C2CCc3ccccc32)c1
InChIInChI=1S/C23H27FN2O3S/c1-3-25(4-2)30(28,29)18-12-13-21(24)20(15-18)23(27)26(17-10-11-17)22-14-9-16-7-5-6-8-19(16)22/h5-8,12-13,15,17,22H,3-4,9-11,14H2,1-2H3
InChIKeyIVKHOAQTRQCEBG-UHFFFAOYSA-N
XLogP4.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55592330
2-chloro-N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 60522229
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 46668209
N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 51965812
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 31425302
N-cyclopropyl-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55593256
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 55864478
5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 55865233

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide?
The IUPAC name of N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide (CID 55864349) is N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide.
What is the SMILES notation for N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide?
The canonical SMILES for N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C2CC2)C2CCc3ccccc32)c1.
What is the InChIKey of N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide?
The InChIKey is IVKHOAQTRQCEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-3-25(4-2)30(28,29)18-12-13-21(24)20(15-18)23(27)26(17-10-11-17)22-14-9-16-7-5-6-8-19(16)22/h5-8,12-13,15,17,22H,3-4,9-11,14H2,1-2H3.
What are the key properties of N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide?
N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide has a molecular weight of 430.55 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide is sourced from PubChem (CID 55864349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).