N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide

C22H29FN2O4S2 — CID 59230075

IUPACN-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H29FN2O4S2/c1-16(2)31(28,29)25-20-7-3-17(4-8-20)15-24-19-9-13-22(14-10-19)30(26,27)21-11-5-18(23)6-12-21/h5-6,9-14,16-17,20,24-25H,3-4,7-8,15H2,1-2H3
InChIKeyYFWAEBLLAGROKA-UHFFFAOYSA-N
MW468.62 g/mol
LogP3.96
Rot. Bonds8

About N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 59230075) 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]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID59230075
Molecular FormulaC22H29FN2O4S2
Molecular Weight468.62 g/mol
Exact Mass468.16
IUPAC NameN-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H29FN2O4S2/c1-16(2)31(28,29)25-20-7-3-17(4-8-20)15-24-19-9-13-22(14-10-19)30(26,27)21-11-5-18(23)6-12-21/h5-6,9-14,16-17,20,24-25H,3-4,7-8,15H2,1-2H3
InChIKeyYFWAEBLLAGROKA-UHFFFAOYSA-N
XLogP3.96
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 53.96
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]propane-2-sulfonamide?
The IUPAC name of N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide (CID 59230075) is N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is YFWAEBLLAGROKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O4S2/c1-16(2)31(28,29)25-20-7-3-17(4-8-20)15-24-19-9-13-22(14-10-19)30(26,27)21-11-5-18(23)6-12-21/h5-6,9-14,16-17,20,24-25H,3-4,7-8,15H2,1-2H3.
What are the key properties of N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[4-(4-fluorophenyl)sulfonylanilino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 468.62 g/mol, XLogP of 3.96, 8 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]propane-2-sulfonamide is sourced from PubChem (CID 59230075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).