CID 101344553

C36H35BiN2O8S2 — CID 101344553

IUPAC—
SMILESCc1ccc(S(=O)(=O)NCC(=O)[O-])cc1.Cc1ccc(S(=O)(=O)NCC(=O)[O-])cc1.[Bi+2].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChIInChI=1S/2C9H11NO4S.3C6H5.Bi/c2*1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12;3*1-2-4-6-5-3-1;/h2*2-5,10H,6H2,1H3,(H,11,12);3*1-5H;/q;;;;;+2/p-2
InChIKeyXHSXMKXLQIPWFQ-UHFFFAOYSA-L
MW896.80 g/mol
LogP2.13
Rot. Bonds8

About CID 101344553

CID 101344553 (PubChem CID 101344553) has the molecular formula C36H35BiN2O8S2 and a molecular weight of 896.80 g/mol.

Molecular Properties

Compound NameCID 101344553
PubChem CID101344553
Molecular FormulaC36H35BiN2O8S2
Molecular Weight896.80 g/mol
Exact Mass896.16
IUPAC Name—
SMILESCc1ccc(S(=O)(=O)NCC(=O)[O-])cc1.Cc1ccc(S(=O)(=O)NCC(=O)[O-])cc1.[Bi+2].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChIInChI=1S/2C9H11NO4S.3C6H5.Bi/c2*1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12;3*1-2-4-6-5-3-1;/h2*2-5,10H,6H2,1H3,(H,11,12);3*1-5H;/q;;;;;+2/p-2
InChIKeyXHSXMKXLQIPWFQ-UHFFFAOYSA-L
XLogP2.13
TPSA172.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500896.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze CID 101344553 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

2-[(4-phenylphenyl)sulfonylamino]acetate
CID 6953151
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
2-[(4-fluorophenyl)sulfonylamino]acetate
CID 3258763
benzhydryl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4043289
4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
CID 58392578
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
[(1S)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 41313327
methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate
CID 8841355
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 110670993
4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
CID 24951292

Frequently Asked Questions

What is the IUPAC name of CID 101344553?
The IUPAC name of CID 101344553 (CID 101344553) is not available.
What is the SMILES notation for CID 101344553?
The canonical SMILES for CID 101344553 is Cc1ccc(S(=O)(=O)NCC(=O)[O-])cc1.Cc1ccc(S(=O)(=O)NCC(=O)[O-])cc1.[Bi+2].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1.
What is the InChIKey of CID 101344553?
The InChIKey is XHSXMKXLQIPWFQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H11NO4S.3C6H5.Bi/c2*1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12;3*1-2-4-6-5-3-1;/h2*2-5,10H,6H2,1H3,(H,11,12);3*1-5H;/q;;;;;+2/p-2.
What are the key properties of CID 101344553?
CID 101344553 has a molecular weight of 896.80 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101344553 is sourced from PubChem (CID 101344553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).