CID 134802150

C19H22N4O4S — CID 134802150

IUPAC—
SMILESCOc1ccccc1C(=O)N1CCCC2(CN[S+](=O)([O-])c3cccnc3N2)C1
InChIInChI=1S/C19H22N4O4S/c1-27-15-7-3-2-6-14(15)18(24)23-11-5-9-19(13-23)12-21-28(25,26)16-8-4-10-20-17(16)22-19/h2-4,6-8,10H,5,9,11-13H2,1H3,(H2-,20,21,22,25,26)
InChIKeyBUJBUTWAURYNHU-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.68
Rot. Bonds2

About CID 134802150

CID 134802150 (PubChem CID 134802150) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol.

Molecular Properties

Compound NameCID 134802150
PubChem CID134802150
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name—
SMILESCOc1ccccc1C(=O)N1CCCC2(CN[S+](=O)([O-])c3cccnc3N2)C1
InChIInChI=1S/C19H22N4O4S/c1-27-15-7-3-2-6-14(15)18(24)23-11-5-9-19(13-23)12-21-28(25,26)16-8-4-10-20-17(16)22-19/h2-4,6-8,10H,5,9,11-13H2,1H3,(H2-,20,21,22,25,26)
InChIKeyBUJBUTWAURYNHU-UHFFFAOYSA-N
XLogP1.68
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 24686491
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 24687162
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2-Methoxy-N-{3-[(5-methylpyridin-2-yl)amino]-3-oxopropyl}benzamide
CID 24240705
2-fluoro-N-(4-methoxyphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 15999732
2-methoxy-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984626

Frequently Asked Questions

What is the IUPAC name of CID 134802150?
The IUPAC name of CID 134802150 (CID 134802150) is not available.
What is the SMILES notation for CID 134802150?
The canonical SMILES for CID 134802150 is COc1ccccc1C(=O)N1CCCC2(CN[S+](=O)([O-])c3cccnc3N2)C1.
What is the InChIKey of CID 134802150?
The InChIKey is BUJBUTWAURYNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-27-15-7-3-2-6-14(15)18(24)23-11-5-9-19(13-23)12-21-28(25,26)16-8-4-10-20-17(16)22-19/h2-4,6-8,10H,5,9,11-13H2,1H3,(H2-,20,21,22,25,26).
What are the key properties of CID 134802150?
CID 134802150 has a molecular weight of 402.48 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134802150 is sourced from PubChem (CID 134802150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).