4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide

C18H16N4O3S — CID 59634919

IUPAC4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1)N1CNC1
InChIInChI=1S/C18H16N4O3S/c23-18(22-11-19-12-22)14-6-8-15(9-7-14)26(24,25)21-16-5-1-3-13-4-2-10-20-17(13)16/h1-10,19,21H,11-12H2
InChIKeyPLLZPWSBIOUWEP-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.00
Rot. Bonds4

About 4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide

4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 59634919) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
PubChem CID59634919
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1)N1CNC1
InChIInChI=1S/C18H16N4O3S/c23-18(22-11-19-12-22)14-6-8-15(9-7-14)26(24,25)21-16-5-1-3-13-4-2-10-20-17(13)16/h1-10,19,21H,11-12H2
InChIKeyPLLZPWSBIOUWEP-UHFFFAOYSA-N
XLogP2.00
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
CID 59634843
3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
CID 109063891
4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
4-[(2-methoxyphenyl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 31321858
6-amino-N-quinolin-8-ylpyridine-3-sulfonamide
CID 62164738
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
1-(4-fluorobenzoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123213
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
N-[4-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634993
bis(N-[4-(piperazin-4-ium-1-carbonyl)phenyl]quinoline-8-sulfonamide);sulfate;trihydrate
CID 169133059
4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31542150

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide (CID 59634919) is 4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1)N1CNC1.
What is the InChIKey of 4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is PLLZPWSBIOUWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c23-18(22-11-19-12-22)14-6-8-15(9-7-14)26(24,25)21-16-5-1-3-13-4-2-10-20-17(13)16/h1-10,19,21H,11-12H2.
What are the key properties of 4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 368.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 59634919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).