N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide

C14H19ClN2O3S — CID 50876397

IUPACN-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cc(Cl)c(C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H19ClN2O3S/c1-10-8-14(13(9-12(10)15)16-11(2)18)21(19,20)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,16,18)
InChIKeyYDOJZWDVAIRBCG-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.78
Rot. Bonds3

About N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide

N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 50876397) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID50876397
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1cc(Cl)c(C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H19ClN2O3S/c1-10-8-14(13(9-12(10)15)16-11(2)18)21(19,20)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,16,18)
InChIKeyYDOJZWDVAIRBCG-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 35203349
N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide
CID 31289322
9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3774926
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
4-chloro-N-(2,3-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2599735
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
2-(4-chloro-2-methyl-5-piperidin-1-ylsulfonylphenoxy)acetamide
CID 976547
N-[3-methyl-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazol-5-yl]acetamide
CID 53133053
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-(4-chloro-2-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9003684

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide (CID 50876397) is N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide is CC(=O)Nc1cc(Cl)c(C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is YDOJZWDVAIRBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-10-8-14(13(9-12(10)15)16-11(2)18)21(19,20)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,16,18).
What are the key properties of N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide?
N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 330.84 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 50876397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).