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

C16H17N3O4S — CID 56839168

IUPACN-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C16H17N3O4S/c1-23-14-4-2-3-12(11-14)18-24(21,22)15-7-5-13(6-8-15)19-10-9-17-16(19)20/h2-8,11,18H,9-10H2,1H3,(H,17,20)
InChIKeyMQWZUIOSRHSQHJ-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.03
Rot. Bonds5

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

N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 56839168) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID56839168
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C16H17N3O4S/c1-23-14-4-2-3-12(11-14)18-24(21,22)15-7-5-13(6-8-15)19-10-9-17-16(19)20/h2-8,11,18H,9-10H2,1H3,(H,17,20)
InChIKeyMQWZUIOSRHSQHJ-UHFFFAOYSA-N
XLogP2.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 56839168) is N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is MQWZUIOSRHSQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-23-14-4-2-3-12(11-14)18-24(21,22)15-7-5-13(6-8-15)19-10-9-17-16(19)20/h2-8,11,18H,9-10H2,1H3,(H,17,20).
What are the key properties of N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 56839168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).