3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide

C16H17N3O3S — CID 3041006

IUPAC3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1N1CN(c2ccccc2)CC1=O
InChIInChI=1S/C16H17N3O3S/c1-12-9-14(23(17,21)22)7-8-15(12)19-11-18(10-16(19)20)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,17,21,22)
InChIKeyHUUHHWPSOFUOEV-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.45
Rot. Bonds3

About 3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide

3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide (PubChem CID 3041006) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
PubChem CID3041006
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1N1CN(c2ccccc2)CC1=O
InChIInChI=1S/C16H17N3O3S/c1-12-9-14(23(17,21)22)7-8-15(12)19-11-18(10-16(19)20)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,17,21,22)
InChIKeyHUUHHWPSOFUOEV-UHFFFAOYSA-N
XLogP1.45
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide (CID 3041006) is 3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1N1CN(c2ccccc2)CC1=O.
What is the InChIKey of 3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is HUUHHWPSOFUOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-12-9-14(23(17,21)22)7-8-15(12)19-11-18(10-16(19)20)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H2,17,21,22).
What are the key properties of 3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 3041006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).