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

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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).