N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide

C18H17N5O5S — CID 166398444

IUPACN-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide
SMILESO=C(c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1)N1CC(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H17N5O5S/c24-16(12-6-8-14(9-7-12)23-18(26)19-17(25)20-23)22-10-13(11-22)21-29(27,28)15-4-2-1-3-5-15/h1-9,13,21H,10-11H2,(H2,19,20,25,26)
InChIKeyYEVWDZDCUWZBMW-UHFFFAOYSA-N
MW415.43 g/mol
LogP-0.34
Rot. Bonds5

About N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide

N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide (PubChem CID 166398444) has the molecular formula C18H17N5O5S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide
PubChem CID166398444
Molecular FormulaC18H17N5O5S
Molecular Weight415.43 g/mol
Exact Mass415.10
IUPAC NameN-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide
SMILESO=C(c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1)N1CC(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H17N5O5S/c24-16(12-6-8-14(9-7-12)23-18(26)19-17(25)20-23)22-10-13(11-22)21-29(27,28)15-4-2-1-3-5-15/h1-9,13,21H,10-11H2,(H2,19,20,25,26)
InChIKeyYEVWDZDCUWZBMW-UHFFFAOYSA-N
XLogP-0.34
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide (CID 166398444) is N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide is O=C(c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1)N1CC(NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide?
The InChIKey is YEVWDZDCUWZBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5S/c24-16(12-6-8-14(9-7-12)23-18(26)19-17(25)20-23)22-10-13(11-22)21-29(27,28)15-4-2-1-3-5-15/h1-9,13,21H,10-11H2,(H2,19,20,25,26).
What are the key properties of N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide?
N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide has a molecular weight of 415.43 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,5-dioxo-1,2,4-triazolidin-1-yl)benzoyl]azetidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 166398444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).