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

C16H17N3O3S — CID 53372222

IUPACN-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C16H17N3O3S/c1-12-3-2-4-13(11-12)18-23(21,22)15-7-5-14(6-8-15)19-10-9-17-16(19)20/h2-8,11,18H,9-10H2,1H3,(H,17,20)
InChIKeyICZTTZFBTFFBCB-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.33
Rot. Bonds4

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

N-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 53372222) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID53372222
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C16H17N3O3S/c1-12-3-2-4-13(11-12)18-23(21,22)15-7-5-14(6-8-15)19-10-9-17-16(19)20/h2-8,11,18H,9-10H2,1H3,(H,17,20)
InChIKeyICZTTZFBTFFBCB-UHFFFAOYSA-N
XLogP2.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 53372222) is N-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is ICZTTZFBTFFBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-12-3-2-4-13(11-12)18-23(21,22)15-7-5-14(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-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 53372222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).