4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide

C20H21F2NO3S — CID 146919016

IUPAC4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCc1cc(F)c(F)cc1CC(=O)[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C20H21F2NO3S/c1-11-8-15(21)16(22)9-13(11)10-17(24)19-18(20(19,2)3)12-4-6-14(7-5-12)27(23,25)26/h4-9,18-19H,10H2,1-3H3,(H2,23,25,26)/t18-,19-/m1/s1
InChIKeyACUQZZURHOUTHR-RTBURBONSA-N
MW393.46 g/mol
LogP3.47
Rot. Bonds5

About 4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide

4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 146919016) has the molecular formula C20H21F2NO3S and a molecular weight of 393.46 g/mol. Its IUPAC name is 4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID146919016
Molecular FormulaC20H21F2NO3S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Name4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCc1cc(F)c(F)cc1CC(=O)[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C
InChIInChI=1S/C20H21F2NO3S/c1-11-8-15(21)16(22)9-13(11)10-17(24)19-18(20(19,2)3)12-4-6-14(7-5-12)27(23,25)26/h4-9,18-19H,10H2,1-3H3,(H2,23,25,26)/t18-,19-/m1/s1
InChIKeyACUQZZURHOUTHR-RTBURBONSA-N
XLogP3.47
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide 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

4-[(1R,3R)-3-[2-(5-chloro-2-ethoxyphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 149230900
1-[(1S,3S)-2,2-dimethyl-3-phenylcyclopropyl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 147747771
N'-hydroxy-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboximidamide
CID 130455338
trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 158340144
4-[(1R,3R)-3-[(5-chloro-4-fluoro-2-methylanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 118182407
trans-(1S,3S)-N-(5-chloro-2-ethoxyphenyl)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 162101746
trans-(1S,3S)-3-(3-fluoro-4-methylphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178202838
trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
CID 118160761
4-[(1R,3R)-3-[(4-fluoroanilino)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 118182336
N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide
CID 68582394
4-[(1R,3R)-2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropyl]benzenesulfonamide
CID 129180787
4-[(1R,3R)-3-[(5-fluoro-2-methoxyphenoxy)methyl]-2,2-dimethylcyclopropyl]benzenesulfonamide
CID 129160441

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 146919016) is 4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide is Cc1cc(F)c(F)cc1CC(=O)[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C.
What is the InChIKey of 4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is ACUQZZURHOUTHR-RTBURBONSA-N. The full InChI is InChI=1S/C20H21F2NO3S/c1-11-8-15(21)16(22)9-13(11)10-17(24)19-18(20(19,2)3)12-4-6-14(7-5-12)27(23,25)26/h4-9,18-19H,10H2,1-3H3,(H2,23,25,26)/t18-,19-/m1/s1.
What are the key properties of 4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 393.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-3-[2-(4,5-difluoro-2-methylphenyl)acetyl]-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 146919016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).