N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide

C28H25NO3S — CID 56669105

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide
SMILESCC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3cccc4ccccc34)ccc2O1
InChIInChI=1S/C28H25NO3S/c1-28(2)18-17-23-19-21(15-16-26(23)32-28)20-29(24-11-4-3-5-12-24)33(30,31)27-14-8-10-22-9-6-7-13-25(22)27/h3-19H,20H2,1-2H3
InChIKeyCJQYFDHPYWEVLF-UHFFFAOYSA-N
MW455.58 g/mol
LogP6.42
Rot. Bonds5

About N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide

N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide (PubChem CID 56669105) has the molecular formula C28H25NO3S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide
PubChem CID56669105
Molecular FormulaC28H25NO3S
Molecular Weight455.58 g/mol
Exact Mass455.16
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide
SMILESCC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3cccc4ccccc34)ccc2O1
InChIInChI=1S/C28H25NO3S/c1-28(2)18-17-23-19-21(15-16-26(23)32-28)20-29(24-11-4-3-5-12-24)33(30,31)27-14-8-10-22-9-6-7-13-25(22)27/h3-19H,20H2,1-2H3
InChIKeyCJQYFDHPYWEVLF-UHFFFAOYSA-N
XLogP6.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide (CID 56669105) is N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide is CC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3cccc4ccccc34)ccc2O1.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide?
The InChIKey is CJQYFDHPYWEVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3S/c1-28(2)18-17-23-19-21(15-16-26(23)32-28)20-29(24-11-4-3-5-12-24)33(30,31)27-14-8-10-22-9-6-7-13-25(22)27/h3-19H,20H2,1-2H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide?
N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide has a molecular weight of 455.58 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylnaphthalene-1-sulfonamide is sourced from PubChem (CID 56669105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).