CID 145352720

C15H11B2NOS2 — CID 145352720

IUPAC—
SMILES[B]C([B])(N)c1ccc(S(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C15H11B2NOS2/c16-15(17,18)13-7-8-14(20-13)21(19)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,18H2
InChIKeyCXLHRCPRSMPNGY-UHFFFAOYSA-N
MW307.02 g/mol
LogP2.47
Rot. Bonds3

About CID 145352720

CID 145352720 (PubChem CID 145352720) has the molecular formula C15H11B2NOS2 and a molecular weight of 307.02 g/mol.

Molecular Properties

Compound NameCID 145352720
PubChem CID145352720
Molecular FormulaC15H11B2NOS2
Molecular Weight307.02 g/mol
Exact Mass307.05
IUPAC Name—
SMILES[B]C([B])(N)c1ccc(S(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C15H11B2NOS2/c16-15(17,18)13-7-8-14(20-13)21(19)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,18H2
InChIKeyCXLHRCPRSMPNGY-UHFFFAOYSA-N
XLogP2.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.02
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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molecular hydrogen;naphthalene-2-sulfinic acid;hydrate
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N,N-dimethylnaphthalene-2-sulfinamide
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4-naphthalen-2-ylsulfinylbutanoic acid
CID 61302772
2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine
CID 64658254
3-naphthalen-2-ylsulfinylcyclopentan-1-amine
CID 64722450
2-dinaphthalen-2-ylarsorylnaphthalene
CID 177401201
(E)-3-(2-naphthalen-2-ylsulfinylphenyl)prop-2-enoate
CID 21198728
CID 158474185
CID 158474185

Frequently Asked Questions

What is the IUPAC name of CID 145352720?
The IUPAC name of CID 145352720 (CID 145352720) is not available.
What is the SMILES notation for CID 145352720?
The canonical SMILES for CID 145352720 is [B]C([B])(N)c1ccc(S(=O)c2ccc3ccccc3c2)s1.
What is the InChIKey of CID 145352720?
The InChIKey is CXLHRCPRSMPNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11B2NOS2/c16-15(17,18)13-7-8-14(20-13)21(19)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,18H2.
What are the key properties of CID 145352720?
CID 145352720 has a molecular weight of 307.02 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145352720 is sourced from PubChem (CID 145352720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).