CID 6330650

C48H52GeN16O8S4-4 — CID 6330650

IUPAC—
SMILESCc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.[Ge]
InChIInChI=1S/4C12H13N4O2S.Ge/c4*1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h4*3-7H,13H2,1-2H3;/q4*-1;
InChIKeyPDKRDVTZKISRJT-UHFFFAOYSA-N
MW1181.93 g/mol
LogP7.90
Rot. Bonds12

About CID 6330650

CID 6330650 (PubChem CID 6330650) has the molecular formula C48H52GeN16O8S4-4 and a molecular weight of 1181.93 g/mol.

Molecular Properties

Compound NameCID 6330650
PubChem CID6330650
Molecular FormulaC48H52GeN16O8S4-4
Molecular Weight1181.93 g/mol
Exact Mass1182.23
IUPAC Name—
SMILESCc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.[Ge]
InChIInChI=1S/4C12H13N4O2S.Ge/c4*1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h4*3-7H,13H2,1-2H3;/q4*-1;
InChIKeyPDKRDVTZKISRJT-UHFFFAOYSA-N
XLogP7.90
TPSA400.16 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001181.93
LogP ≤ 57.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze CID 6330650 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

bis((4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide);nickel(2+);hexakis(pyridine)
CID 139070427
sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide
CID 15899898
[4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide;rubidium(1+)
CID 23665361
silver (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
CID 4164477
potassium [4-(azepan-1-yldiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 23665360
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
CID 177463125
zinc;bis((4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide);bis(ethane-1,2-diamine);trihydrate
CID 139068419
[4-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4574778
Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
CID 66643389
(4,6-dimethylpyrimidin-2-yl)-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]sulfonylazanide
CID 4067833
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 174831503

Frequently Asked Questions

What is the IUPAC name of CID 6330650?
The IUPAC name of CID 6330650 (CID 6330650) is not available.
What is the SMILES notation for CID 6330650?
The canonical SMILES for CID 6330650 is Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1.[Ge].
What is the InChIKey of CID 6330650?
The InChIKey is PDKRDVTZKISRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H13N4O2S.Ge/c4*1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h4*3-7H,13H2,1-2H3;/q4*-1;.
What are the key properties of CID 6330650?
CID 6330650 has a molecular weight of 1181.93 g/mol, XLogP of 7.90, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330650 is sourced from PubChem (CID 6330650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).