carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium

C11H11ClN2O2SY-2 — CID 58436410

IUPACcarbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium
SMILESC[N-]S(=O)(=O)c1ccc(Cl)c2ncccc12.[CH3-].[Y]
InChIInChI=1S/C10H8ClN2O2S.CH3.Y/c1-12-16(14,15)9-5-4-8(11)10-7(9)3-2-6-13-10;;/h2-6H,1H3;1H3;/q2*-1;
InChIKeyRHIRDNPVXWDTAI-UHFFFAOYSA-N
MW359.65 g/mol
LogP3.03
Rot. Bonds2

About carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium

carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium (PubChem CID 58436410) has the molecular formula C11H11ClN2O2SY-2 and a molecular weight of 359.65 g/mol. Its IUPAC name is carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium.

Molecular Properties

Compound Namecarbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium
PubChem CID58436410
Molecular FormulaC11H11ClN2O2SY-2
Molecular Weight359.65 g/mol
Exact Mass358.93
IUPAC Namecarbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium
SMILESC[N-]S(=O)(=O)c1ccc(Cl)c2ncccc12.[CH3-].[Y]
InChIInChI=1S/C10H8ClN2O2S.CH3.Y/c1-12-16(14,15)9-5-4-8(11)10-7(9)3-2-6-13-10;;/h2-6H,1H3;1H3;/q2*-1;
InChIKeyRHIRDNPVXWDTAI-UHFFFAOYSA-N
XLogP3.03
TPSA61.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Quinoline-5-sulfonamide
CID 21876443
Quinoline-4-sulfonamide
CID 61728044
1-(6-chloropyridin-3-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 822466
3-[(6-Chloroquinolin-4-yl)amino]benzenesulfonamide
CID 168277029
N-(2-chloro-4-methylphenyl)quinoline-8-sulfonamide
CID 5192739
((4-Chlorophenyl)sulfonyl)-8-quinolylamine
CID 837733
8-Methylquinoline-5-sulfonyl chloride
CID 14224770
4-Chloroquinoline-6-sulfonyl chloride
CID 87410430
N,N-dimethylquinoline-3-sulfonamide
CID 23159733
N,N-dimethylquinoline-7-sulfonamide
CID 141029254
4-Chloroquinoline-8-sulfonyl chloride
CID 12405878
8-Chloroquinoline-5-sulfonyl chloride
CID 16228939

Frequently Asked Questions

What is the IUPAC name of carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium?
The IUPAC name of carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium (CID 58436410) is carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium.
What is the SMILES notation for carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium?
The canonical SMILES for carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium is C[N-]S(=O)(=O)c1ccc(Cl)c2ncccc12.[CH3-].[Y].
What is the InChIKey of carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium?
The InChIKey is RHIRDNPVXWDTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN2O2S.CH3.Y/c1-12-16(14,15)9-5-4-8(11)10-7(9)3-2-6-13-10;;/h2-6H,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium?
carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium has a molecular weight of 359.65 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(8-chloroquinolin-5-yl)sulfonyl-methylazanide;yttrium is sourced from PubChem (CID 58436410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).