N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide

C18H16F3NO2S — CID 97017077

IUPACN-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(F)c1F)N(C1CC1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C18H16F3NO2S/c19-14-8-10-16(18(21)17(14)20)25(23,24)22(12-6-7-12)15-9-5-11-3-1-2-4-13(11)15/h1-4,8,10,12,15H,5-7,9H2/t15-/m1/s1
InChIKeyGGMNOLATIYPJCZ-OAHLLOKOSA-N
MW367.39 g/mol
LogP3.94
Rot. Bonds4

About N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide

N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide (PubChem CID 97017077) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide
PubChem CID97017077
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC NameN-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(F)c1F)N(C1CC1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C18H16F3NO2S/c19-14-8-10-16(18(21)17(14)20)25(23,24)22(12-6-7-12)15-9-5-11-3-1-2-4-13(11)15/h1-4,8,10,12,15H,5-7,9H2/t15-/m1/s1
InChIKeyGGMNOLATIYPJCZ-OAHLLOKOSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 51965811
2-bromo-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 55860528
N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 51965812
N-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
CID 56825683
4-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 52505558
N-cyclopropyl-5-(diethylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide
CID 55864349
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide
CID 43577802
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 55864478
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039074
N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 87131302
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55592330

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide (CID 97017077) is N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide is O=S(=O)(c1ccc(F)c(F)c1F)N(C1CC1)[C@@H]1CCc2ccccc21.
What is the InChIKey of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is GGMNOLATIYPJCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c19-14-8-10-16(18(21)17(14)20)25(23,24)22(12-6-7-12)15-9-5-11-3-1-2-4-13(11)15/h1-4,8,10,12,15H,5-7,9H2/t15-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide?
N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 97017077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).