3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide

C23H21ClFNO3S — CID 86948895

IUPAC3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C23H21ClFNO3S/c1-23(2,20-12-11-18(25)14-21(20)24)26-22(27)17-8-6-7-16(13-17)15-30(28,29)19-9-4-3-5-10-19/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeySRDJFTVPRUFZLA-UHFFFAOYSA-N
MW445.94 g/mol
LogP5.12
Rot. Bonds6

About 3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide

3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide (PubChem CID 86948895) has the molecular formula C23H21ClFNO3S and a molecular weight of 445.94 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide
PubChem CID86948895
Molecular FormulaC23H21ClFNO3S
Molecular Weight445.94 g/mol
Exact Mass445.09
IUPAC Name3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C23H21ClFNO3S/c1-23(2,20-12-11-18(25)14-21(20)24)26-22(27)17-8-6-7-16(13-17)15-30(28,29)19-9-4-3-5-10-19/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeySRDJFTVPRUFZLA-UHFFFAOYSA-N
XLogP5.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.94
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide 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-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide
CID 86949396
3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 55786930
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide
CID 86948958
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
3-(benzenesulfonylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 55770768
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
3-(benzenesulfonylmethyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]benzamide
CID 55777894
2-[[3-(benzenesulfonylmethyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119200849
N-[2-(2,4-dichlorophenyl)propan-2-yl]-3,4-difluorobenzamide
CID 110445693
3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide
CID 55773574
N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55789468
3-(benzenesulfonylmethyl)-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 55776645

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide (CID 86948895) is 3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide is CC(C)(NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc(F)cc1Cl.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide?
The InChIKey is SRDJFTVPRUFZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFNO3S/c1-23(2,20-12-11-18(25)14-21(20)24)26-22(27)17-8-6-7-16(13-17)15-30(28,29)19-9-4-3-5-10-19/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide?
3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide has a molecular weight of 445.94 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]benzamide is sourced from PubChem (CID 86948895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).