CID 134794860

C23H22N2O3S2 — CID 134794860

IUPAC—
SMILESO=C1N(CCc2ccccc2)c2ccccc2C12CCN([S+](=O)([O-])c1cccs1)C2
InChIInChI=1S/C23H22N2O3S2/c26-22-23(13-15-24(17-23)30(27,28)21-11-6-16-29-21)19-9-4-5-10-20(19)25(22)14-12-18-7-2-1-3-8-18/h1-11,16H,12-15,17H2
InChIKeyQQGUCBDTJMWRGL-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.88
Rot. Bonds5

About CID 134794860

CID 134794860 (PubChem CID 134794860) has the molecular formula C23H22N2O3S2 and a molecular weight of 438.57 g/mol.

Molecular Properties

Compound NameCID 134794860
PubChem CID134794860
Molecular FormulaC23H22N2O3S2
Molecular Weight438.57 g/mol
Exact Mass438.11
IUPAC Name—
SMILESO=C1N(CCc2ccccc2)c2ccccc2C12CCN([S+](=O)([O-])c1cccs1)C2
InChIInChI=1S/C23H22N2O3S2/c26-22-23(13-15-24(17-23)30(27,28)21-11-6-16-29-21)19-9-4-5-10-20(19)25(22)14-12-18-7-2-1-3-8-18/h1-11,16H,12-15,17H2
InChIKeyQQGUCBDTJMWRGL-UHFFFAOYSA-N
XLogP3.88
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055
2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
N-{[1-(3-Methylbenzoyl)-2,3-dihydro-1H-indol-5-YL]methyl}thiophene-2-sulfonamide
CID 16030955
3-(3-(Dimethylamino)propyl)-1-(methyl-2-thenylamino)-3-phenyl-2-indolinone
CID 36454
1-(2,3-Dihydroindol-1-yl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 3977986
1'-[(4-fluorophenyl)sulfonyl]-1-methylspiro[indole-3,3'-pyrrolidin]-2(1H)-one
CID 53177173
1'-[(3-fluorophenyl)sulfonyl]-1-methylspiro[indole-3,3'-pyrrolidin]-2(1H)-one
CID 53177184
1'-[(2-fluorophenyl)sulfonyl]-1-methylspiro[indole-3,3'-pyrrolidin]-2(1{H})-one
CID 53177186
2-[1'-[(5-methyl-2-thienyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl]acetamide
CID 56892949
1-Methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 97375629
2-(3-Methylphenyl)-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118738800
2-Phenyl-7-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118739666

Frequently Asked Questions

What is the IUPAC name of CID 134794860?
The IUPAC name of CID 134794860 (CID 134794860) is not available.
What is the SMILES notation for CID 134794860?
The canonical SMILES for CID 134794860 is O=C1N(CCc2ccccc2)c2ccccc2C12CCN([S+](=O)([O-])c1cccs1)C2.
What is the InChIKey of CID 134794860?
The InChIKey is QQGUCBDTJMWRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S2/c26-22-23(13-15-24(17-23)30(27,28)21-11-6-16-29-21)19-9-4-5-10-20(19)25(22)14-12-18-7-2-1-3-8-18/h1-11,16H,12-15,17H2.
What are the key properties of CID 134794860?
CID 134794860 has a molecular weight of 438.57 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134794860 is sourced from PubChem (CID 134794860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).