4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide

C21H19N3O4S — CID 56931305

IUPAC4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C21H19N3O4S/c25-21-22-13-14-24(21)17-9-11-20(12-10-17)29(26,27)23-16-5-4-8-19(15-16)28-18-6-2-1-3-7-18/h1-12,15,23H,13-14H2,(H,22,25)
InChIKeyABJNUQJHFKXQCQ-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.81
Rot. Bonds6

About 4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide

4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide (PubChem CID 56931305) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide
PubChem CID56931305
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC Name4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C21H19N3O4S/c25-21-22-13-14-24(21)17-9-11-20(12-10-17)29(26,27)23-16-5-4-8-19(15-16)28-18-6-2-1-3-7-18/h1-12,15,23H,13-14H2,(H,22,25)
InChIKeyABJNUQJHFKXQCQ-UHFFFAOYSA-N
XLogP3.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60145776
3-(4-Phenoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10740202
3-(3-Phenoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10835279
4-(3-(4-Phenoxyphenyl)ureido)benzenesulfonamide
CID 27868059
(4-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53353818
(3,5-Dimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53361618
(2-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363410
(2-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363411
(3-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363579
(3-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363580
(3-Aminophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363678
(4-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363856

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide (CID 56931305) is 4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide is O=C1NCCN1c1ccc(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide?
The InChIKey is ABJNUQJHFKXQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c25-21-22-13-14-24(21)17-9-11-20(12-10-17)29(26,27)23-16-5-4-8-19(15-16)28-18-6-2-1-3-7-18/h1-12,15,23H,13-14H2,(H,22,25).
What are the key properties of 4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide?
4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 56931305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).