N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide

C22H29FN2O4S2 — CID 163667243

IUPACN-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(CNc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H29FN2O4S2/c1-2-30(26,27)25-16-18-5-3-17(4-6-18)15-24-20-9-13-22(14-10-20)31(28,29)21-11-7-19(23)8-12-21/h7-14,17-18,24-25H,2-6,15-16H2,1H3
InChIKeyIZNUCLITPXYKJK-UHFFFAOYSA-N
MW468.62 g/mol
LogP3.82
Rot. Bonds9

About N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide

N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide (PubChem CID 163667243) has the molecular formula C22H29FN2O4S2 and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide
PubChem CID163667243
Molecular FormulaC22H29FN2O4S2
Molecular Weight468.62 g/mol
Exact Mass468.16
IUPAC NameN-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(CNc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H29FN2O4S2/c1-2-30(26,27)25-16-18-5-3-17(4-6-18)15-24-20-9-13-22(14-10-20)31(28,29)21-11-7-19(23)8-12-21/h7-14,17-18,24-25H,2-6,15-16H2,1H3
InChIKeyIZNUCLITPXYKJK-UHFFFAOYSA-N
XLogP3.82
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide (CID 163667243) is N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC(CNc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide?
The InChIKey is IZNUCLITPXYKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O4S2/c1-2-30(26,27)25-16-18-5-3-17(4-6-18)15-24-20-9-13-22(14-10-20)31(28,29)21-11-7-19(23)8-12-21/h7-14,17-18,24-25H,2-6,15-16H2,1H3.
What are the key properties of N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide?
N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide has a molecular weight of 468.62 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]methyl]ethanesulfonamide is sourced from PubChem (CID 163667243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).