4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide

C21H18ClFN2O3S — CID 43000805

IUPAC4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c22-19-14-18(10-11-20(19)23)29(27,28)25-17-8-6-16(7-9-17)21(26)24-13-12-15-4-2-1-3-5-15/h1-11,14,25H,12-13H2,(H,24,26)
InChIKeyWLOYXBAFNVHRKG-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.25
Rot. Bonds7

About 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide

4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (PubChem CID 43000805) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
PubChem CID43000805
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c22-19-14-18(10-11-20(19)23)29(27,28)25-17-8-6-16(7-9-17)21(26)24-13-12-15-4-2-1-3-5-15/h1-11,14,25H,12-13H2,(H,24,26)
InChIKeyWLOYXBAFNVHRKG-UHFFFAOYSA-N
XLogP4.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 27256677
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
N-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 46807280
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-phenylprop-2-ynyl)benzamide
CID 55509893
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 18108738
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 24981727
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171
N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
CID 26696432
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55973463
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 46552974

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide (CID 43000805) is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is WLOYXBAFNVHRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c22-19-14-18(10-11-20(19)23)29(27,28)25-17-8-6-16(7-9-17)21(26)24-13-12-15-4-2-1-3-5-15/h1-11,14,25H,12-13H2,(H,24,26).
What are the key properties of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide?
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 432.90 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 43000805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).