3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H15N5O4S2 — CID 71719387

IUPAC3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C19H15N5O4S2/c20-12-13-11-16(30(26,27)23-18-21-8-10-29-18)5-6-17(13)28-15-3-1-14(2-4-15)24-9-7-22-19(24)25/h1-6,8,10-11H,7,9H2,(H,21,23)(H,22,25)
InChIKeySSQIKMPOULUHRN-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.14
Rot. Bonds6

About 3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71719387) has the molecular formula C19H15N5O4S2 and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71719387
Molecular FormulaC19H15N5O4S2
Molecular Weight441.49 g/mol
Exact Mass441.06
IUPAC Name3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C19H15N5O4S2/c20-12-13-11-16(30(26,27)23-18-21-8-10-29-18)5-6-17(13)28-15-3-1-14(2-4-15)24-9-7-22-19(24)25/h1-6,8,10-11H,7,9H2,(H,21,23)(H,22,25)
InChIKeySSQIKMPOULUHRN-UHFFFAOYSA-N
XLogP3.14
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71719387) is 3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is SSQIKMPOULUHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4S2/c20-12-13-11-16(30(26,27)23-18-21-8-10-29-18)5-6-17(13)28-15-3-1-14(2-4-15)24-9-7-22-19(24)25/h1-6,8,10-11H,7,9H2,(H,21,23)(H,22,25).
What are the key properties of 3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 441.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[4-(2-oxoimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71719387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).