N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide

C13H18Cl2N3O3S+ — CID 9249472

IUPACN-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide
SMILESNS(=O)(=O)c1cc(Cl)c(NC(=O)C[NH+]2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O3S/c14-10-6-9(22(16,20)21)7-11(15)13(10)17-12(19)8-18-4-2-1-3-5-18/h6-7H,1-5,8H2,(H,17,19)(H2,16,20,21)/p+1
InChIKeyRHLIJORMPWALIA-UHFFFAOYSA-O
MW367.28 g/mol
LogP0.65
Rot. Bonds4

About N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide

N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide (PubChem CID 9249472) has the molecular formula C13H18Cl2N3O3S+ and a molecular weight of 367.28 g/mol. Its IUPAC name is N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide
PubChem CID9249472
Molecular FormulaC13H18Cl2N3O3S+
Molecular Weight367.28 g/mol
Exact Mass366.04
IUPAC NameN-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide
SMILESNS(=O)(=O)c1cc(Cl)c(NC(=O)C[NH+]2CCCCC2)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O3S/c14-10-6-9(22(16,20)21)7-11(15)13(10)17-12(19)8-18-4-2-1-3-5-18/h6-7H,1-5,8H2,(H,17,19)(H2,16,20,21)/p+1
InChIKeyRHLIJORMPWALIA-UHFFFAOYSA-O
XLogP0.65
TPSA93.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide
CID 43246826
N-(2,6-dichloro-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155701
2-pyrrolidin-1-ium-1-yl-N-(2,4,5-trichlorophenyl)acetamide
CID 8901846
N-(2,6-dichloro-4-sulfamoylphenyl)cyclopentanecarboxamide
CID 43246828
N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide
CID 7334246
2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 7810608
2-(azocan-1-ium-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 8583722
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide
CID 61128272
methyl 1-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperidin-1-ium-4-carboxylate
CID 8001387
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 8903916
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The IUPAC name of N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide (CID 9249472) is N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide.
What is the SMILES notation for N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The canonical SMILES for N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide is NS(=O)(=O)c1cc(Cl)c(NC(=O)C[NH+]2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide?
The InChIKey is RHLIJORMPWALIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17Cl2N3O3S/c14-10-6-9(22(16,20)21)7-11(15)13(10)17-12(19)8-18-4-2-1-3-5-18/h6-7H,1-5,8H2,(H,17,19)(H2,16,20,21)/p+1.
What are the key properties of N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide?
N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide has a molecular weight of 367.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide is sourced from PubChem (CID 9249472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).