CID 163768637

C14H15BN2O2S — CID 163768637

IUPAC—
SMILES[B]c1ccc(S(=O)(=O)Nc2cccc(CC)n2)cc1C
InChIInChI=1S/C14H15BN2O2S/c1-3-11-5-4-6-14(16-11)17-20(18,19)12-7-8-13(15)10(2)9-12/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyCQBDTCWISSHYNI-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.55
Rot. Bonds4

About CID 163768637

CID 163768637 (PubChem CID 163768637) has the molecular formula C14H15BN2O2S and a molecular weight of 286.17 g/mol.

Molecular Properties

Compound NameCID 163768637
PubChem CID163768637
Molecular FormulaC14H15BN2O2S
Molecular Weight286.17 g/mol
Exact Mass286.09
IUPAC Name—
SMILES[B]c1ccc(S(=O)(=O)Nc2cccc(CC)n2)cc1C
InChIInChI=1S/C14H15BN2O2S/c1-3-11-5-4-6-14(16-11)17-20(18,19)12-7-8-13(15)10(2)9-12/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyCQBDTCWISSHYNI-UHFFFAOYSA-N
XLogP1.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.55
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

4-ethyl-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
CID 3256237
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
N-(6-ethyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25042631
2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
CID 3868272
methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate
CID 3376237
N-(6-bromo-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106920444
N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 82343421
4-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 47071432
N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 84584191
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide
CID 112699826
N-[6-(2-hydroxyethyl)-2-pyridinyl]-4-(4-isocyanophenyl)benzenesulfonamide
CID 59854060

Frequently Asked Questions

What is the IUPAC name of CID 163768637?
The IUPAC name of CID 163768637 (CID 163768637) is not available.
What is the SMILES notation for CID 163768637?
The canonical SMILES for CID 163768637 is [B]c1ccc(S(=O)(=O)Nc2cccc(CC)n2)cc1C.
What is the InChIKey of CID 163768637?
The InChIKey is CQBDTCWISSHYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BN2O2S/c1-3-11-5-4-6-14(16-11)17-20(18,19)12-7-8-13(15)10(2)9-12/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of CID 163768637?
CID 163768637 has a molecular weight of 286.17 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163768637 is sourced from PubChem (CID 163768637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).