4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide

C20H26N2O4S2 — CID 11146322

IUPAC4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h7-14,19-22H,3-6H2,1-2H3/t19-,20-/m1/s1
InChIKeyFIAAGQKYVFEMGC-WOJBJXKFSA-N
MW422.57 g/mol
LogP2.87
Rot. Bonds6

About 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide

4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide (PubChem CID 11146322) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
PubChem CID11146322
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h7-14,19-22H,3-6H2,1-2H3/t19-,20-/m1/s1
InChIKeyFIAAGQKYVFEMGC-WOJBJXKFSA-N
XLogP2.87
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide (CID 11146322) is 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
The InChIKey is FIAAGQKYVFEMGC-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-15-7-11-17(12-8-15)27(23,24)21-19-5-3-4-6-20(19)22-28(25,26)18-13-9-16(2)10-14-18/h7-14,19-22H,3-6H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide?
4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide has a molecular weight of 422.57 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 11146322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).