lithium benzenesulfonyl-(3-methoxyphenyl)azanide

C13H12LiNO3S — CID 135051821

IUPAClithium benzenesulfonyl-(3-methoxyphenyl)azanide
SMILESCOc1cccc([N-]S(=O)(=O)c2ccccc2)c1.[Li+]
InChIInChI=1S/C13H12NO3S.Li/c1-17-12-7-5-6-11(10-12)14-18(15,16)13-8-3-2-4-9-13;/h2-10H,1H3;/q-1;+1
InChIKeyAJOOFNHAHGUYCY-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.09
Rot. Bonds4

About lithium benzenesulfonyl-(3-methoxyphenyl)azanide

lithium benzenesulfonyl-(3-methoxyphenyl)azanide (PubChem CID 135051821) has the molecular formula C13H12LiNO3S and a molecular weight of 269.25 g/mol. Its IUPAC name is lithium benzenesulfonyl-(3-methoxyphenyl)azanide.

Molecular Properties

Compound Namelithium benzenesulfonyl-(3-methoxyphenyl)azanide
PubChem CID135051821
Molecular FormulaC13H12LiNO3S
Molecular Weight269.25 g/mol
Exact Mass269.07
IUPAC Namelithium benzenesulfonyl-(3-methoxyphenyl)azanide
SMILESCOc1cccc([N-]S(=O)(=O)c2ccccc2)c1.[Li+]
InChIInChI=1S/C13H12NO3S.Li/c1-17-12-7-5-6-11(10-12)14-18(15,16)13-8-3-2-4-9-13;/h2-10H,1H3;/q-1;+1
InChIKeyAJOOFNHAHGUYCY-UHFFFAOYSA-N
XLogP0.09
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze lithium benzenesulfonyl-(3-methoxyphenyl)azanide 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

(4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide
CID 4749902
(3-methoxyphenyl)sulfonyl-methylazanide
CID 59280617
3-methoxybenzenesulfonamide
CID 14763060
CID 172849383
CID 172849383
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930
(4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide
CID 5140565
1-(fluoromethylsulfonyl)-3-methoxybenzene
CID 84721809
N-[2-(3-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 94317245
but-2-ene;3-methoxybenzenesulfonic acid
CID 175366995
tris(1,3-dimethoxybenzene);phosphane
CID 160853878

Frequently Asked Questions

What is the IUPAC name of lithium benzenesulfonyl-(3-methoxyphenyl)azanide?
The IUPAC name of lithium benzenesulfonyl-(3-methoxyphenyl)azanide (CID 135051821) is lithium benzenesulfonyl-(3-methoxyphenyl)azanide.
What is the SMILES notation for lithium benzenesulfonyl-(3-methoxyphenyl)azanide?
The canonical SMILES for lithium benzenesulfonyl-(3-methoxyphenyl)azanide is COc1cccc([N-]S(=O)(=O)c2ccccc2)c1.[Li+].
What is the InChIKey of lithium benzenesulfonyl-(3-methoxyphenyl)azanide?
The InChIKey is AJOOFNHAHGUYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO3S.Li/c1-17-12-7-5-6-11(10-12)14-18(15,16)13-8-3-2-4-9-13;/h2-10H,1H3;/q-1;+1.
What are the key properties of lithium benzenesulfonyl-(3-methoxyphenyl)azanide?
lithium benzenesulfonyl-(3-methoxyphenyl)azanide has a molecular weight of 269.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium benzenesulfonyl-(3-methoxyphenyl)azanide is sourced from PubChem (CID 135051821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).