N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

C17H19N3O5S — CID 53372093

IUPACN-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc(OC)c1
InChIInChI=1S/C17H19N3O5S/c1-24-14-9-12(10-15(11-14)25-2)19-26(22,23)16-5-3-13(4-6-16)20-8-7-18-17(20)21/h3-6,9-11,19H,7-8H2,1-2H3,(H,18,21)
InChIKeyIRWGCOJFCDEVOP-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.03
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 53372093) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID53372093
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc(OC)c1
InChIInChI=1S/C17H19N3O5S/c1-24-14-9-12(10-15(11-14)25-2)19-26(22,23)16-5-3-13(4-6-16)20-8-7-18-17(20)21/h3-6,9-11,19H,7-8H2,1-2H3,(H,18,21)
InChIKeyIRWGCOJFCDEVOP-UHFFFAOYSA-N
XLogP2.03
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53353818
(3,5-Dimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53361618
(3,4,5-Trimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53361619
(2-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363410
(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
(3,4-Dimethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363681
(4-Ethoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363856
(4-Propoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363857
(4-Butoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363858
N-(2-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372216

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 53372093) is N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is IRWGCOJFCDEVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-24-14-9-12(10-15(11-14)25-2)19-26(22,23)16-5-3-13(4-6-16)20-8-7-18-17(20)21/h3-6,9-11,19H,7-8H2,1-2H3,(H,18,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 377.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 53372093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).