N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide

C17H24Cl2N2O3S — CID 21368354

IUPACN-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide
SMILESCC1CCN(C(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1
InChIInChI=1S/C17H24Cl2N2O3S/c1-13-7-10-20(11-8-13)17(22)4-3-9-21(25(2,23)24)16-12-14(18)5-6-15(16)19/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyHQGVRVZZZZMWDF-UHFFFAOYSA-N
MW407.36 g/mol
LogP3.80
Rot. Bonds6

About N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide

N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide (PubChem CID 21368354) has the molecular formula C17H24Cl2N2O3S and a molecular weight of 407.36 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide
PubChem CID21368354
Molecular FormulaC17H24Cl2N2O3S
Molecular Weight407.36 g/mol
Exact Mass406.09
IUPAC NameN-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide
SMILESCC1CCN(C(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1
InChIInChI=1S/C17H24Cl2N2O3S/c1-13-7-10-20(11-8-13)17(22)4-3-9-21(25(2,23)24)16-12-14(18)5-6-15(16)19/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyHQGVRVZZZZMWDF-UHFFFAOYSA-N
XLogP3.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dichlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146493
N-(3-chloro-2-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide
CID 100545028
N-(5-chloro-2-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144392
N-(5-chloro-2-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1145387
N-(3-chloro-2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143969
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1160808
N-(2,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142126
N-(5-chloro-2-methylphenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113144037
4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 21366810
N-(3,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142346
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 982842

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide (CID 21368354) is N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide is CC1CCN(C(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide?
The InChIKey is HQGVRVZZZZMWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3S/c1-13-7-10-20(11-8-13)17(22)4-3-9-21(25(2,23)24)16-12-14(18)5-6-15(16)19/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide?
N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide has a molecular weight of 407.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]methanesulfonamide is sourced from PubChem (CID 21368354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).