4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

C22H21N3O4S — CID 164618737

IUPAC4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C22H21N3O4S/c23-30(28,29)20-9-7-17(8-10-20)21(26)24-11-13-25(14-12-24)22(27)19-6-5-16-3-1-2-4-18(16)15-19/h1-10,15H,11-14H2,(H2,23,28,29)
InChIKeyOKWOHBDXQYLBAN-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.09
Rot. Bonds3

About 4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 164618737) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID164618737
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C22H21N3O4S/c23-30(28,29)20-9-7-17(8-10-20)21(26)24-11-13-25(14-12-24)22(27)19-6-5-16-3-1-2-4-18(16)15-19/h1-10,15H,11-14H2,(H2,23,28,29)
InChIKeyOKWOHBDXQYLBAN-UHFFFAOYSA-N
XLogP2.09
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 164618737) is 4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is OKWOHBDXQYLBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c23-30(28,29)20-9-7-17(8-10-20)21(26)24-11-13-25(14-12-24)22(27)19-6-5-16-3-1-2-4-18(16)15-19/h1-10,15H,11-14H2,(H2,23,28,29).
What are the key properties of 4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 423.49 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(naphthalene-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 164618737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).