N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide

C20H23NO4S2 — CID 71084250

IUPACN-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2C=CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO4S2/c1-16-8-12-19(13-9-16)26(22,23)21(18-6-4-3-5-7-18)27(24,25)20-14-10-17(2)11-15-20/h4,6,8-15,18H,3,5,7H2,1-2H3
InChIKeyMUDOBXPELUBBSN-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.79
Rot. Bonds5

About N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide

N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide (PubChem CID 71084250) has the molecular formula C20H23NO4S2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
PubChem CID71084250
Molecular FormulaC20H23NO4S2
Molecular Weight405.54 g/mol
Exact Mass405.11
IUPAC NameN-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C2C=CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO4S2/c1-16-8-12-19(13-9-16)26(22,23)21(18-6-4-3-5-7-18)27(24,25)20-14-10-17(2)11-15-20/h4,6,8-15,18H,3,5,7H2,1-2H3
InChIKeyMUDOBXPELUBBSN-UHFFFAOYSA-N
XLogP3.79
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The IUPAC name of N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide (CID 71084250) is N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C2C=CCCC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The InChIKey is MUDOBXPELUBBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S2/c1-16-8-12-19(13-9-16)26(22,23)21(18-6-4-3-5-7-18)27(24,25)20-14-10-17(2)11-15-20/h4,6,8-15,18H,3,5,7H2,1-2H3.
What are the key properties of N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide has a molecular weight of 405.54 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 71084250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).