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

C16H21N3O4S2 — CID 1094974

IUPACN,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H21N3O4S2/c1-17(2)25(22,23)19-11-9-18(10-12-19)24(20,21)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,9-12H2,1-2H3
InChIKeyUHDPVCZPLYERKS-UHFFFAOYSA-N
MW383.50 g/mol
LogP0.95
Rot. Bonds4

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

N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide (PubChem CID 1094974) has the molecular formula C16H21N3O4S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide
PubChem CID1094974
Molecular FormulaC16H21N3O4S2
Molecular Weight383.50 g/mol
Exact Mass383.10
IUPAC NameN,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H21N3O4S2/c1-17(2)25(22,23)19-11-9-18(10-12-19)24(20,21)16-8-7-14-5-3-4-6-15(14)13-16/h3-8,13H,9-12H2,1-2H3
InChIKeyUHDPVCZPLYERKS-UHFFFAOYSA-N
XLogP0.95
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Naphthalene-2-sulfonyl)-piperazine
CID 703957
PKM2 activator 2
CID 25243723
1-(1-Naphthylsulfonyl)piperidine
CID 962543
N,N'-Ethylenebis(N-methyl-P-toluenesulfonamide)
CID 228118
N-[3-(dimethylamino)propyl]naphthalene-2-sulfonamide
CID 2200900
1-Naphthalen-2-ylsulfonylpiperidine
CID 764406
4-Methyl-1-(2-naphthylsulfonyl)piperidine
CID 767330
1-Methyl-4-(naphthalene-2-sulfonyl)piperazine
CID 872090
1-Methyl-4-({4'-methyl-[1,1'-biphenyl]-4-yl}sulfonyl)piperazine
CID 889439
1-Ethyl-4-naphthalen-2-ylsulfonylpiperazine
CID 973966
N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]naphthalene-1-sulfonamide
CID 9820952
N-methyl-N-[(2R)-4-[(3R)-3-methylpiperidin-1-yl]butan-2-yl]naphthalene-1-sulfonamide
CID 10619437

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide (CID 1094974) is N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide?
The InChIKey is UHDPVCZPLYERKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S2/c1-17(2)25(22,23)19-11-9-18(10-12-19)24(20,21)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-sulfonamide?
N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide has a molecular weight of 383.50 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-naphthalen-2-ylsulfonylpiperazine-1-sulfonamide is sourced from PubChem (CID 1094974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).