2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine

C23H18ClNS — CID 2439984

IUPAC2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine
SMILESClc1ccc(-c2cc(-c3ccccc3)c3c4c(sc3n2)CCCC4)cc1
InChIInChI=1S/C23H18ClNS/c24-17-12-10-16(11-13-17)20-14-19(15-6-2-1-3-7-15)22-18-8-4-5-9-21(18)26-23(22)25-20/h1-3,6-7,10-14H,4-5,8-9H2
InChIKeyKLVHMFNCRXWBID-UHFFFAOYSA-N
MW375.92 g/mol
LogP7.16
Rot. Bonds2

About 2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine

2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine (PubChem CID 2439984) has the molecular formula C23H18ClNS and a molecular weight of 375.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine
PubChem CID2439984
Molecular FormulaC23H18ClNS
Molecular Weight375.92 g/mol
Exact Mass375.08
IUPAC Name2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine
SMILESClc1ccc(-c2cc(-c3ccccc3)c3c4c(sc3n2)CCCC4)cc1
InChIInChI=1S/C23H18ClNS/c24-17-12-10-16(11-13-17)20-14-19(15-6-2-1-3-7-15)22-18-8-4-5-9-21(18)26-23(22)25-20/h1-3,6-7,10-14H,4-5,8-9H2
InChIKeyKLVHMFNCRXWBID-UHFFFAOYSA-N
XLogP7.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.92
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine with MolForge

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Related Compounds

3-amino-4-(4-chlorophenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3129592
2-(4-methoxyphenyl)-7-methyl-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine
CID 43029644
N-benzhydryl-10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 2128513
3-chloro-2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine
CID 2465728
3-amino-2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 5336497
2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
CID 694866
4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 12798312
6-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfinyl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 3330535
2-benzyl-4-[4-(4-chlorophenyl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 91965843
3-amino-N-(3-chlorophenyl)-6-(4-chlorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3125157
12-(4-methoxyphenyl)-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-10-carbonitrile
CID 178081754
4-(4-chlorophenyl)-2-phenyl-5,6-dihydrobenzo[h]quinoline
CID 3736312

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine (CID 2439984) is 2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine is Clc1ccc(-c2cc(-c3ccccc3)c3c4c(sc3n2)CCCC4)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is KLVHMFNCRXWBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNS/c24-17-12-10-16(11-13-17)20-14-19(15-6-2-1-3-7-15)22-18-8-4-5-9-21(18)26-23(22)25-20/h1-3,6-7,10-14H,4-5,8-9H2.
What are the key properties of 2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine?
2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 375.92 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 2439984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).