N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

C21H27N3O4S — CID 53372221

IUPACN-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCCCCCCOc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-2-3-4-5-16-28-19-10-6-17(7-11-19)23-29(26,27)20-12-8-18(9-13-20)24-15-14-22-21(24)25/h6-13,23H,2-5,14-16H2,1H3,(H,22,25)
InChIKeyMFIYZXXOIMNJJS-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.98
Rot. Bonds10

About N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 53372221) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID53372221
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCCCCCCOc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-2-3-4-5-16-28-19-10-6-17(7-11-19)23-29(26,27)20-12-8-18(9-13-20)24-15-14-22-21(24)25/h6-13,23H,2-5,14-16H2,1H3,(H,22,25)
InChIKeyMFIYZXXOIMNJJS-UHFFFAOYSA-N
XLogP3.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-(Phenylsulfonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780370
4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
3-amino-N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3674642
2-(carbamoylamino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylsulfanylbutanamide
CID 3930725
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 2957824
2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
CID 4291895
1-(4-Ethoxyphenyl)-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 16194672
4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239
N-(4-ethoxyphenyl)-N'-[3-(1-pyrrolidinyl)propyl]urea
CID 2198296
N-(4-{[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl}phenyl)acetamide
CID 2965073
N-(4-Ethoxyphenyl)-3-[4-(4-methoxybenzenesulfonyl)piperazin-1-YL]propanamide
CID 9550798
1-Phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60145776

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 53372221) is N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is CCCCCCOc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is MFIYZXXOIMNJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-2-3-4-5-16-28-19-10-6-17(7-11-19)23-29(26,27)20-12-8-18(9-13-20)24-15-14-22-21(24)25/h6-13,23H,2-5,14-16H2,1H3,(H,22,25).
What are the key properties of N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 53372221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).