2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

C16H24ClN3O3S — CID 4572889

IUPAC2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-12(16(21)20(3)14-7-9-19(2)10-8-14)18-24(22,23)15-6-4-5-13(17)11-15/h4-6,11-12,14,18H,7-10H2,1-3H3
InChIKeyHRFDBSYTMSLANE-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.56
Rot. Bonds5

About 2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 4572889) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID4572889
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-12(16(21)20(3)14-7-9-19(2)10-8-14)18-24(22,23)15-6-4-5-13(17)11-15/h4-6,11-12,14,18H,7-10H2,1-3H3
InChIKeyHRFDBSYTMSLANE-UHFFFAOYSA-N
XLogP1.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 4572889) is 2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is CC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is HRFDBSYTMSLANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3S/c1-12(16(21)20(3)14-7-9-19(2)10-8-14)18-24(22,23)15-6-4-5-13(17)11-15/h4-6,11-12,14,18H,7-10H2,1-3H3.
What are the key properties of 2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 373.91 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 4572889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).