4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

C22H20ClFN2O3S — CID 92672272

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-15(16-3-9-19(24)10-4-16)25-22(27)17-5-11-20(12-6-17)26(2)30(28,29)21-13-7-18(23)8-14-21/h3-15H,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyKPNWVCXBOUCEJO-HNNXBMFYSA-N
MW446.93 g/mol
LogP4.80
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 92672272) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID92672272
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-15(16-3-9-19(24)10-4-16)25-22(27)17-5-11-20(12-6-17)26(2)30(28,29)21-13-7-18(23)8-14-21/h3-15H,1-2H3,(H,25,27)/t15-/m0/s1
InChIKeyKPNWVCXBOUCEJO-HNNXBMFYSA-N
XLogP4.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 112761400
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 132673967
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133260963
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133188789
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9426583
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
N-[1-(4-ethylphenyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 133166361
N-[1-(2,4-difluorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55337082
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578950
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-phenylpropyl]benzamide
CID 92683507

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (CID 92672272) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is KPNWVCXBOUCEJO-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-15(16-3-9-19(24)10-4-16)25-22(27)17-5-11-20(12-6-17)26(2)30(28,29)21-13-7-18(23)8-14-21/h3-15H,1-2H3,(H,25,27)/t15-/m0/s1.
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 446.93 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 92672272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).