2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide

C15H22ClN3O3S — CID 120600077

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C15H22ClN3O3S/c1-11-9-13(7-8-17-11)18-15(20)10-19(2)23(21,22)14-5-3-12(16)4-6-14/h3-6,11,13,17H,7-10H2,1-2H3,(H,18,20)
InChIKeyMQAMROLFQRXQSJ-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.22
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide (PubChem CID 120600077) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
PubChem CID120600077
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
SMILESCC1CC(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C15H22ClN3O3S/c1-11-9-13(7-8-17-11)18-15(20)10-19(2)23(21,22)14-5-3-12(16)4-6-14/h3-6,11,13,17H,7-10H2,1-2H3,(H,18,20)
InChIKeyMQAMROLFQRXQSJ-UHFFFAOYSA-N
XLogP1.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119475665
3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598283
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602559
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 124743858
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide
CID 98775845
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
N-[2-(aminomethyl)cyclohexyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119610103
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 42906780
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide (CID 120600077) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide is CC1CC(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CCN1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide?
The InChIKey is MQAMROLFQRXQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-11-9-13(7-8-17-11)18-15(20)10-19(2)23(21,22)14-5-3-12(16)4-6-14/h3-6,11,13,17H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide has a molecular weight of 359.88 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120600077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).