2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide

C22H26ClFN2O3S — CID 1281165

IUPAC2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCCC1
InChIInChI=1S/C22H26ClFN2O3S/c23-18-9-13-21(14-10-18)30(28,29)26(15-17-7-11-19(24)12-8-17)16-22(27)25-20-5-3-1-2-4-6-20/h7-14,20H,1-6,15-16H2,(H,25,27)
InChIKeyWHOGEVAJOUVACA-UHFFFAOYSA-N
MW452.98 g/mol
LogP4.51
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide

2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide (PubChem CID 1281165) has the molecular formula C22H26ClFN2O3S and a molecular weight of 452.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide
PubChem CID1281165
Molecular FormulaC22H26ClFN2O3S
Molecular Weight452.98 g/mol
Exact Mass452.13
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCCC1
InChIInChI=1S/C22H26ClFN2O3S/c23-18-9-13-21(14-10-18)30(28,29)26(15-17-7-11-19(24)12-8-17)16-22(27)25-20-5-3-1-2-4-6-20/h7-14,20H,1-6,15-16H2,(H,25,27)
InChIKeyWHOGEVAJOUVACA-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.98
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
2-[(4-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxyacetamide
CID 100984436
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 18133694
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 1315881
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide
CID 2192147
N-cyclopentyl-2-[(4-fluorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 26055553
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide
CID 5177354
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-cycloheptylacetamide
CID 126077296
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 126026477
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 126069306
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide (CID 1281165) is 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide is O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCCC1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide?
The InChIKey is WHOGEVAJOUVACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O3S/c23-18-9-13-21(14-10-18)30(28,29)26(15-17-7-11-19(24)12-8-17)16-22(27)25-20-5-3-1-2-4-6-20/h7-14,20H,1-6,15-16H2,(H,25,27).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide?
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide has a molecular weight of 452.98 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide is sourced from PubChem (CID 1281165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).