2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide

C14H18ClNO2S — CID 107036632

IUPAC2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide
SMILESCN(C(=O)c1cc(S)ccc1Cl)C1CCCCC1O
InChIInChI=1S/C14H18ClNO2S/c1-16(12-4-2-3-5-13(12)17)14(18)10-8-9(19)6-7-11(10)15/h6-8,12-13,17,19H,2-5H2,1H3
InChIKeyWXQSQJUQZOREPE-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.00
Rot. Bonds2

About 2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide

2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide (PubChem CID 107036632) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide
PubChem CID107036632
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide
SMILESCN(C(=O)c1cc(S)ccc1Cl)C1CCCCC1O
InChIInChI=1S/C14H18ClNO2S/c1-16(12-4-2-3-5-13(12)17)14(18)10-8-9(19)6-7-11(10)15/h6-8,12-13,17,19H,2-5H2,1H3
InChIKeyWXQSQJUQZOREPE-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 102636807
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
2-hydroxy-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102632488
5-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102635118
2-chloro-N-[(2-hydroxycyclohexyl)methyl]-5-sulfanylbenzamide
CID 107031032
2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide
CID 102631830
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-methylsulfanylbenzamide
CID 19798383
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-N-methylbenzamide
CID 19916383
2-hydrazinyl-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102636877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide (CID 107036632) is 2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide is CN(C(=O)c1cc(S)ccc1Cl)C1CCCCC1O.
What is the InChIKey of 2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide?
The InChIKey is WXQSQJUQZOREPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c1-16(12-4-2-3-5-13(12)17)14(18)10-8-9(19)6-7-11(10)15/h6-8,12-13,17,19H,2-5H2,1H3.
What are the key properties of 2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide?
2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide has a molecular weight of 299.82 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107036632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).