2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide

C20H21ClF2N2O5S2 — CID 22485770

IUPAC2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide
SMILESNC(=O)CS(=O)(=O)NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClF2N2O5S2/c21-13-1-4-16(5-2-13)32(29,30)20(17-11-14(22)3-6-18(17)23)9-7-15(8-10-20)25-31(27,28)12-19(24)26/h1-6,11,15,25H,7-10,12H2,(H2,24,26)
InChIKeyHNTSEYFBWZVKTH-UHFFFAOYSA-N
MW506.98 g/mol
LogP2.63
Rot. Bonds7

About 2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide

2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide (PubChem CID 22485770) has the molecular formula C20H21ClF2N2O5S2 and a molecular weight of 506.98 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide
PubChem CID22485770
Molecular FormulaC20H21ClF2N2O5S2
Molecular Weight506.98 g/mol
Exact Mass506.05
IUPAC Name2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide
SMILESNC(=O)CS(=O)(=O)NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClF2N2O5S2/c21-13-1-4-16(5-2-13)32(29,30)20(17-11-14(22)3-6-18(17)23)9-7-15(8-10-20)25-31(27,28)12-19(24)26/h1-6,11,15,25H,7-10,12H2,(H2,24,26)
InChIKeyHNTSEYFBWZVKTH-UHFFFAOYSA-N
XLogP2.63
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.98
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide (CID 22485770) is 2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide is NC(=O)CS(=O)(=O)NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide?
The InChIKey is HNTSEYFBWZVKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N2O5S2/c21-13-1-4-16(5-2-13)32(29,30)20(17-11-14(22)3-6-18(17)23)9-7-15(8-10-20)25-31(27,28)12-19(24)26/h1-6,11,15,25H,7-10,12H2,(H2,24,26).
What are the key properties of 2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide?
2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide has a molecular weight of 506.98 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]sulfamoyl]acetamide is sourced from PubChem (CID 22485770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).