CID 164984844

C16H14N2O6S2 — CID 164984844

IUPAC—
SMILESCc1cccc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)c1.N=S(=O)=O
InChIInChI=1S/C16H13NO4S.HNO2S/c1-9-3-2-4-10(7-9)8-17-11-5-6-22-14(11)12(16(20)21)13(18)15(17)19;1-4(2)3/h2-7,18H,8H2,1H3,(H,20,21);1H
InChIKeyFZXCKNKALHSQGG-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.45
Rot. Bonds3

About CID 164984844

CID 164984844 (PubChem CID 164984844) has the molecular formula C16H14N2O6S2 and a molecular weight of 394.43 g/mol.

Molecular Properties

Compound NameCID 164984844
PubChem CID164984844
Molecular FormulaC16H14N2O6S2
Molecular Weight394.43 g/mol
Exact Mass394.03
IUPAC Name—
SMILESCc1cccc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)c1.N=S(=O)=O
InChIInChI=1S/C16H13NO4S.HNO2S/c1-9-3-2-4-10(7-9)8-17-11-5-6-22-14(11)12(16(20)21)13(18)15(17)19;1-4(2)3/h2-7,18H,8H2,1H3,(H,20,21);1H
InChIKeyFZXCKNKALHSQGG-UHFFFAOYSA-N
XLogP2.45
TPSA137.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze CID 164984844 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 164984844?
The IUPAC name of CID 164984844 (CID 164984844) is not available.
What is the SMILES notation for CID 164984844?
The canonical SMILES for CID 164984844 is Cc1cccc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)c1.N=S(=O)=O.
What is the InChIKey of CID 164984844?
The InChIKey is FZXCKNKALHSQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S.HNO2S/c1-9-3-2-4-10(7-9)8-17-11-5-6-22-14(11)12(16(20)21)13(18)15(17)19;1-4(2)3/h2-7,18H,8H2,1H3,(H,20,21);1H.
What are the key properties of CID 164984844?
CID 164984844 has a molecular weight of 394.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164984844 is sourced from PubChem (CID 164984844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).