4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

C22H20ClFN2O3S — CID 30380701

IUPAC4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2Cl)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-14-3-10-19(11-4-14)26-30(28,29)21-13-17(7-12-20(21)23)22(27)25-15(2)16-5-8-18(24)9-6-16/h3-13,15,26H,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyPOXXXNYAEPHARU-HNNXBMFYSA-N
MW446.93 g/mol
LogP5.08
Rot. Bonds6

About 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 30380701) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID30380701
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC Name4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2Cl)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-14-3-10-19(11-4-14)26-30(28,29)21-13-17(7-12-20(21)23)22(27)25-15(2)16-5-8-18(24)9-6-16/h3-13,15,26H,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyPOXXXNYAEPHARU-HNNXBMFYSA-N
XLogP5.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 94018670
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46771208
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92683182
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132617871
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 133188810
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43915395
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92646861
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 99949871

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 30380701) is 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is POXXXNYAEPHARU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-14-3-10-19(11-4-14)26-30(28,29)21-13-17(7-12-20(21)23)22(27)25-15(2)16-5-8-18(24)9-6-16/h3-13,15,26H,1-2H3,(H,25,27)/t15-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 446.93 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 30380701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).