4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide

C18H19ClN2OS — CID 146346002

IUPAC4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC(S)C2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2OS/c19-14-5-3-13(4-6-14)18(22)20-15-7-9-16(10-8-15)21-11-1-2-17(23)12-21/h3-10,17,23H,1-2,11-12H2,(H,20,22)
InChIKeyCSMKPHKSRPVLPO-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.49
Rot. Bonds3

About 4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide

4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide (PubChem CID 146346002) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide
PubChem CID146346002
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC(S)C2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2OS/c19-14-5-3-13(4-6-14)18(22)20-15-7-9-16(10-8-15)21-11-1-2-17(23)12-21/h3-10,17,23H,1-2,11-12H2,(H,20,22)
InChIKeyCSMKPHKSRPVLPO-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
4-chloro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 67402074
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
4-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055951
4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141499
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
4-chloro-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125042505

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide (CID 146346002) is 4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCCC(S)C2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide?
The InChIKey is CSMKPHKSRPVLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c19-14-5-3-13(4-6-14)18(22)20-15-7-9-16(10-8-15)21-11-1-2-17(23)12-21/h3-10,17,23H,1-2,11-12H2,(H,20,22).
What are the key properties of 4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide?
4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide has a molecular weight of 346.88 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(3-sulfanylpiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 146346002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).