N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide

C14H14FN3O3S2 — CID 174544785

IUPACN-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N(F)C1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1
InChIInChI=1S/C14H14FN3O3S2/c1-9(19)18(15)12-6-10-2-3-13(8-11(10)7-12)23(20,21)17-14-16-4-5-22-14/h2-5,8,12H,6-7H2,1H3,(H,16,17)
InChIKeyHQZRNJPBBBUZIY-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.14
Rot. Bonds4

About N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide

N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide (PubChem CID 174544785) has the molecular formula C14H14FN3O3S2 and a molecular weight of 355.42 g/mol. Its IUPAC name is N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide.

Molecular Properties

Compound NameN-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide
PubChem CID174544785
Molecular FormulaC14H14FN3O3S2
Molecular Weight355.42 g/mol
Exact Mass355.05
IUPAC NameN-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide
SMILESCC(=O)N(F)C1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1
InChIInChI=1S/C14H14FN3O3S2/c1-9(19)18(15)12-6-10-2-3-13(8-11(10)7-12)23(20,21)17-14-16-4-5-22-14/h2-5,8,12H,6-7H2,1H3,(H,16,17)
InChIKeyHQZRNJPBBBUZIY-UHFFFAOYSA-N
XLogP2.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]benzamide
CID 11999346
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]azanium tetrafluoroborate
CID 139204733
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
3-(5-chloroindol-1-yl)-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]propanamide;molecular hydrogen
CID 159909017
4-chloro-3-[(cyclopropylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031911
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 92687784

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
The IUPAC name of N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide (CID 174544785) is N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide.
What is the SMILES notation for N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
The canonical SMILES for N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide is CC(=O)N(F)C1Cc2ccc(S(=O)(=O)Nc3nccs3)cc2C1.
What is the InChIKey of N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
The InChIKey is HQZRNJPBBBUZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S2/c1-9(19)18(15)12-6-10-2-3-13(8-11(10)7-12)23(20,21)17-14-16-4-5-22-14/h2-5,8,12H,6-7H2,1H3,(H,16,17).
What are the key properties of N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide?
N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-[5-(1,3-thiazol-2-ylsulfamoyl)-2,3-dihydro-1H-inden-2-yl]acetamide is sourced from PubChem (CID 174544785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).