6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid

C25H26N2O5S — CID 71541378

IUPAC6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4cc(C(=O)O)ccc4c3)CC2)c(C)c1
InChIInChI=1S/C25H26N2O5S/c1-16-3-8-23(17(2)13-16)33(31,32)27-11-9-18(10-12-27)24(28)26-22-7-6-19-14-21(25(29)30)5-4-20(19)15-22/h3-8,13-15,18H,9-12H2,1-2H3,(H,26,28)(H,29,30)
InChIKeyGMZGBUVNHYUXDX-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.19
Rot. Bonds5

About 6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid

6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid (PubChem CID 71541378) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is 6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid
PubChem CID71541378
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4cc(C(=O)O)ccc4c3)CC2)c(C)c1
InChIInChI=1S/C25H26N2O5S/c1-16-3-8-23(17(2)13-16)33(31,32)27-11-9-18(10-12-27)24(28)26-22-7-6-19-14-21(25(29)30)5-4-20(19)15-22/h3-8,13-15,18H,9-12H2,1-2H3,(H,26,28)(H,29,30)
InChIKeyGMZGBUVNHYUXDX-UHFFFAOYSA-N
XLogP4.19
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Anthranilic Acid Sulfonamide, 23c
CID 11496773
Anthranilic Acid Sulfonamide, 13f
CID 11576158
Anthranilic Acid Sulfonamide, 23d
CID 11576736
Anthranilic Acid Sulfonamide, 14c
CID 11598299
Anthranilic Acid Sulfonamide, 14e
CID 11634719
Anthranilic Acid Sulfonamide, 23a
CID 11641405
Anthranilic Acid Sulfonamide, 23e
CID 11670580
Anthranilic Acid Sulfonamide, 10x
CID 11676623
Anthranilic Acid Sulfonamide, 14b
CID 11705551
MX-69
CID 4075607
Anthranilic Acid Sulfonamide, 10v
CID 11517890
Anthranilic Acid Sulfonamide, 23g
CID 11569838

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid (CID 71541378) is 6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4cc(C(=O)O)ccc4c3)CC2)c(C)c1.
What is the InChIKey of 6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid?
The InChIKey is GMZGBUVNHYUXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-16-3-8-23(17(2)13-16)33(31,32)27-11-9-18(10-12-27)24(28)26-22-7-6-19-14-21(25(29)30)5-4-20(19)15-22/h3-8,13-15,18H,9-12H2,1-2H3,(H,26,28)(H,29,30).
What are the key properties of 6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid?
6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid has a molecular weight of 466.56 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 71541378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).