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

C21H25N3O3S — CID 53372870

IUPACN-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3S/c25-21-22-14-15-24(21)19-10-12-20(13-11-19)28(26,27)23-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-13,16,23H,1-5,14-15H2,(H,22,25)
InChIKeyBKYUZTJYARKILZ-UHFFFAOYSA-N
MW399.52 g/mol
LogP4.06
Rot. Bonds5

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

N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 53372870) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID53372870
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C21H25N3O3S/c25-21-22-14-15-24(21)19-10-12-20(13-11-19)28(26,27)23-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-13,16,23H,1-5,14-15H2,(H,22,25)
InChIKeyBKYUZTJYARKILZ-UHFFFAOYSA-N
XLogP4.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 53372870) is N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is BKYUZTJYARKILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-21-22-14-15-24(21)19-10-12-20(13-11-19)28(26,27)23-18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-13,16,23H,1-5,14-15H2,(H,22,25).
What are the key properties of N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 53372870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).