CID 134795097

C17H18ClN3O2S — CID 134795097

IUPAC—
SMILESC[S+](=O)([O-])N1CCc2nc(C3CC3)nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C17H18ClN3O2S/c1-24(22,23)21-9-8-15-14(10-21)16(11-4-6-13(18)7-5-11)20-17(19-15)12-2-3-12/h4-7,12H,2-3,8-10H2,1H3
InChIKeyFEEOGRLADJLWAS-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.21
Rot. Bonds3

About CID 134795097

CID 134795097 (PubChem CID 134795097) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol.

Molecular Properties

Compound NameCID 134795097
PubChem CID134795097
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name—
SMILESC[S+](=O)([O-])N1CCc2nc(C3CC3)nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C17H18ClN3O2S/c1-24(22,23)21-9-8-15-14(10-21)16(11-4-6-13(18)7-5-11)20-17(19-15)12-2-3-12/h4-7,12H,2-3,8-10H2,1H3
InChIKeyFEEOGRLADJLWAS-UHFFFAOYSA-N
XLogP3.21
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.21
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

4-(4-Chloro-phenyl)-5-methyl-6-(1-phenethyl-piperidin-4-yl)-pyrimidin-2-ylamine
CID 10549355
4-(4-chlorophenyl)-2-ethyl-6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134791554
4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134792664
4-(4-chlorophenyl)-2-ethyl-6-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134794329
4-(4-Chlorophenyl)-7-(cyclohexylmethyl)-2-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 134789239
N,N'-(5-(p-Chlorophenyl)-6-ethyl-2,4-pyrimidinediyl)bis methanesulfonamide
CID 343992
5-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)pyrimidine
CID 8081620
6-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 21825458
6-[(4-Chlorophenyl)methanesulfonyl]-2-(4-fluorophenyl)-5H,6H,7H,8H-pyrido[4,3-D]pyrimidine
CID 53147396
(8E)-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-2-methyl-6,7-dihydro-5H-quinazoline
CID 76328727
CID 134790148
CID 134790148
CID 134793865
CID 134793865

Frequently Asked Questions

What is the IUPAC name of CID 134795097?
The IUPAC name of CID 134795097 (CID 134795097) is not available.
What is the SMILES notation for CID 134795097?
The canonical SMILES for CID 134795097 is C[S+](=O)([O-])N1CCc2nc(C3CC3)nc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of CID 134795097?
The InChIKey is FEEOGRLADJLWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-24(22,23)21-9-8-15-14(10-21)16(11-4-6-13(18)7-5-11)20-17(19-15)12-2-3-12/h4-7,12H,2-3,8-10H2,1H3.
What are the key properties of CID 134795097?
CID 134795097 has a molecular weight of 363.87 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134795097 is sourced from PubChem (CID 134795097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).