N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide

C16H25ClN3O3S+ — CID 7434668

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-12-6-8-20(9-7-12)11-16(21)18-15-10-13(4-5-14(15)17)24(22,23)19(2)3/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21)/p+1
InChIKeyHBVVAPUWPHHMDW-UHFFFAOYSA-O
MW374.91 g/mol
LogP0.84
Rot. Bonds5

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide (PubChem CID 7434668) has the molecular formula C16H25ClN3O3S+ and a molecular weight of 374.91 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
PubChem CID7434668
Molecular FormulaC16H25ClN3O3S+
Molecular Weight374.91 g/mol
Exact Mass374.13
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
SMILESCC1CC[NH+](CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-12-6-8-20(9-7-12)11-16(21)18-15-10-13(4-5-14(15)17)24(22,23)19(2)3/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21)/p+1
InChIKeyHBVVAPUWPHHMDW-UHFFFAOYSA-O
XLogP0.84
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8742573
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
CID 11931581
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7746228
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide
CID 9265560
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
CID 8867441
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
CID 21339599
tert-butyl-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 8904455
2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 11920500
methyl 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742574
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 3985158
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4983753

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide (CID 7434668) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide is CC1CC[NH+](CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is HBVVAPUWPHHMDW-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24ClN3O3S/c1-12-6-8-20(9-7-12)11-16(21)18-15-10-13(4-5-14(15)17)24(22,23)19(2)3/h4-5,10,12H,6-9,11H2,1-3H3,(H,18,21)/p+1.
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 374.91 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 7434668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).