N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

C15H22ClN3O3S — CID 2966777

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-17-7-9-18(10-8-17)15(20)12-19(23(2,21)22)11-13-3-5-14(16)6-4-13/h3-6H,7-12H2,1-2H3
InChIKeyNHSSTAKYUVSERX-UHFFFAOYSA-N
MW359.88 g/mol
LogP0.88
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide

N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (PubChem CID 2966777) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
PubChem CID2966777
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
SMILESCN1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-17-7-9-18(10-8-17)15(20)12-19(23(2,21)22)11-13-3-5-14(16)6-4-13/h3-6H,7-12H2,1-2H3
InChIKeyNHSSTAKYUVSERX-UHFFFAOYSA-N
XLogP0.88
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide (CID 2966777) is N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is CN1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
The InChIKey is NHSSTAKYUVSERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-17-7-9-18(10-8-17)15(20)12-19(23(2,21)22)11-13-3-5-14(16)6-4-13/h3-6H,7-12H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide?
N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide has a molecular weight of 359.88 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 2966777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).