N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide

C26H25FN2O4S — CID 23802000

IUPACN-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C1CC(N(C2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H25FN2O4S/c27-20-11-13-21(14-12-20)28-25(30)17-24(26(28)31)29(22-8-2-1-3-9-22)34(32,33)23-15-10-18-6-4-5-7-19(18)16-23/h4-7,10-16,22,24H,1-3,8-9,17H2
InChIKeyGWXJZWOOICGJOA-UHFFFAOYSA-N
MW480.56 g/mol
LogP4.63
Rot. Bonds5

About N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide

N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 23802000) has the molecular formula C26H25FN2O4S and a molecular weight of 480.56 g/mol. Its IUPAC name is N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID23802000
Molecular FormulaC26H25FN2O4S
Molecular Weight480.56 g/mol
Exact Mass480.15
IUPAC NameN-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESO=C1CC(N(C2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H25FN2O4S/c27-20-11-13-21(14-12-20)28-25(30)17-24(26(28)31)29(22-8-2-1-3-9-22)34(32,33)23-15-10-18-6-4-5-7-19(18)16-23/h4-7,10-16,22,24H,1-3,8-9,17H2
InChIKeyGWXJZWOOICGJOA-UHFFFAOYSA-N
XLogP4.63
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-fluoro-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23942728
N-[4-[3-[cyclopentyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23970773
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide
CID 23801871
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methylbenzenesulfonamide
CID 23914964
N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 23830750
N-cyclopropyl-4-methyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23970823
N-[4-[3-[benzenesulfonyl(cyclopentyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743588
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbenzenesulfonamide
CID 23859050
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide
CID 23914883
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide
CID 25039846
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 23886736
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-4-bromo-N-cyclopentylbenzenesulfonamide
CID 23859134

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 23802000) is N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide is O=C1CC(N(C2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is GWXJZWOOICGJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4S/c27-20-11-13-21(14-12-20)28-25(30)17-24(26(28)31)29(22-8-2-1-3-9-22)34(32,33)23-15-10-18-6-4-5-7-19(18)16-23/h4-7,10-16,22,24H,1-3,8-9,17H2.
What are the key properties of N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 480.56 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 23802000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).