N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide

C17H21N3O3S — CID 1094973

IUPACN,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H21N3O3S/c1-18(2)17(21)19-9-11-20(12-10-19)24(22,23)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,9-12H2,1-2H3
InChIKeyGGNJOGLZUPZNCA-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.83
Rot. Bonds2

About N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide

N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide (PubChem CID 1094973) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide
PubChem CID1094973
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C17H21N3O3S/c1-18(2)17(21)19-9-11-20(12-10-19)24(22,23)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,9-12H2,1-2H3
InChIKeyGGNJOGLZUPZNCA-UHFFFAOYSA-N
XLogP1.83
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide (CID 1094973) is N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide?
The InChIKey is GGNJOGLZUPZNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-18(2)17(21)19-9-11-20(12-10-19)24(22,23)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide?
N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 1094973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).