2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

C15H23Cl2N3O3S — CID 119442080

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C1CCNCC1.Cl
InChIInChI=1S/C15H22ClN3O3S.ClH/c1-18(23(21,22)14-5-3-12(16)4-6-14)11-15(20)19(2)13-7-9-17-10-8-13;/h3-6,13,17H,7-11H2,1-2H3;1H
InChIKeySLNVSGFCDCQUIU-UHFFFAOYSA-N
MW396.34 g/mol
LogP1.59
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119442080) has the molecular formula C15H23Cl2N3O3S and a molecular weight of 396.34 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119442080
Molecular FormulaC15H23Cl2N3O3S
Molecular Weight396.34 g/mol
Exact Mass395.08
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C1CCNCC1.Cl
InChIInChI=1S/C15H22ClN3O3S.ClH/c1-18(23(21,22)14-5-3-12(16)4-6-14)11-15(20)19(2)13-7-9-17-10-8-13;/h3-6,13,17H,7-11H2,1-2H3;1H
InChIKeySLNVSGFCDCQUIU-UHFFFAOYSA-N
XLogP1.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046952
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
N-cyclohexyl-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 55537250
2-[(4-bromophenyl)sulfonyl-methylamino]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 38950654
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-cyclopentyl-N-methylacetamide
CID 46770900
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 55675546
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 32919524
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
CID 120600077

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119442080) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is CN(C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C1CCNCC1.Cl.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is SLNVSGFCDCQUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S.ClH/c1-18(23(21,22)14-5-3-12(16)4-6-14)11-15(20)19(2)13-7-9-17-10-8-13;/h3-6,13,17H,7-11H2,1-2H3;1H.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 396.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119442080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).