N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide

C22H25N3O2S — CID 23353494

IUPACN-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide
SMILESCN1CCN(c2cccc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)CC1
InChIInChI=1S/C22H25N3O2S/c1-24-11-13-25(14-12-24)22-8-4-5-17-9-10-19(16-21(17)22)18-6-3-7-20(15-18)23-28(2,26)27/h3-10,15-16,23H,11-14H2,1-2H3
InChIKeyJAMDJFHGDZQBJW-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.63
Rot. Bonds4

About N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide

N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide (PubChem CID 23353494) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide
PubChem CID23353494
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide
SMILESCN1CCN(c2cccc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)CC1
InChIInChI=1S/C22H25N3O2S/c1-24-11-13-25(14-12-24)22-8-4-5-17-9-10-19(16-21(17)22)18-6-3-7-20(15-18)23-28(2,26)27/h3-10,15-16,23H,11-14H2,1-2H3
InChIKeyJAMDJFHGDZQBJW-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide (CID 23353494) is N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide is CN1CCN(c2cccc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)CC1.
What is the InChIKey of N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide?
The InChIKey is JAMDJFHGDZQBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-24-11-13-25(14-12-24)22-8-4-5-17-9-10-19(16-21(17)22)18-6-3-7-20(15-18)23-28(2,26)27/h3-10,15-16,23H,11-14H2,1-2H3.
What are the key properties of N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide?
N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide has a molecular weight of 395.53 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 23353494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).