CID 134792196

C19H23N3O3S — CID 134792196

IUPAC—
SMILESCOc1ccc(CN2CCC3(CNc4ccccc4[S+](=O)([O-])N3)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-25-16-8-6-15(7-9-16)12-22-11-10-19(14-22)13-20-17-4-2-3-5-18(17)26(23,24)21-19/h2-9,20H,10-14H2,1H3,(H-,21,23,24)
InChIKeyWLASSDOZDBIDRR-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.26
Rot. Bonds3

About CID 134792196

CID 134792196 (PubChem CID 134792196) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol.

Molecular Properties

Compound NameCID 134792196
PubChem CID134792196
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name—
SMILESCOc1ccc(CN2CCC3(CNc4ccccc4[S+](=O)([O-])N3)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-25-16-8-6-15(7-9-16)12-22-11-10-19(14-22)13-20-17-4-2-3-5-18(17)26(23,24)21-19/h2-9,20H,10-14H2,1H3,(H-,21,23,24)
InChIKeyWLASSDOZDBIDRR-UHFFFAOYSA-N
XLogP2.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5-Tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide
CID 127047878
4-[(4-Methoxybenzyl)amino]benzenesulfonamide
CID 834412
4-[(4-Ethoxybenzyl)amino]benzenesulfonamide
CID 935117
CID 134794626
CID 134794626
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 16291217
CID 134794389
CID 134794389
CID 134794919
CID 134794919
CID 134795018
CID 134795018
N-{2-[4-(Dimethylamino)phenyl]-2-(pyrrolidin-1-YL)ethyl}-4-methoxybenzene-1-sulfonamide
CID 16028300
N-{2-[4-(Dimethylamino)phenyl]-2-(pyrrolidin-1-YL)ethyl}-3-fluoro-4-methoxybenzene-1-sulfonamide
CID 16028302
CID 134792696
CID 134792696
CID 134793413
CID 134793413

Frequently Asked Questions

What is the IUPAC name of CID 134792196?
The IUPAC name of CID 134792196 (CID 134792196) is not available.
What is the SMILES notation for CID 134792196?
The canonical SMILES for CID 134792196 is COc1ccc(CN2CCC3(CNc4ccccc4[S+](=O)([O-])N3)C2)cc1.
What is the InChIKey of CID 134792196?
The InChIKey is WLASSDOZDBIDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-25-16-8-6-15(7-9-16)12-22-11-10-19(14-22)13-20-17-4-2-3-5-18(17)26(23,24)21-19/h2-9,20H,10-14H2,1H3,(H-,21,23,24).
What are the key properties of CID 134792196?
CID 134792196 has a molecular weight of 373.48 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134792196 is sourced from PubChem (CID 134792196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).