N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide

C27H21NO3S — CID 163288574

IUPACN-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C27H21NO3S/c29-27-17-15-20-9-5-7-13-23(20)25(27)18-24-22-12-6-4-8-19(22)14-16-26(24)28-32(30,31)21-10-2-1-3-11-21/h1-17,28-29H,18H2
InChIKeyNYAVIMSHBQEAJM-UHFFFAOYSA-N
MW439.54 g/mol
LogP6.09
Rot. Bonds5

About N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide

N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide (PubChem CID 163288574) has the molecular formula C27H21NO3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide
PubChem CID163288574
Molecular FormulaC27H21NO3S
Molecular Weight439.54 g/mol
Exact Mass439.12
IUPAC NameN-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C27H21NO3S/c29-27-17-15-20-9-5-7-13-23(20)25(27)18-24-22-12-6-4-8-19(22)14-16-26(24)28-32(30,31)21-10-2-1-3-11-21/h1-17,28-29H,18H2
InChIKeyNYAVIMSHBQEAJM-UHFFFAOYSA-N
XLogP6.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzoic acid;1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 69303961
N-(1-benzylnaphthalen-2-yl)methanesulfonamide
CID 176881930
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 1073704
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
N-benzo[h]quinolin-4-ylbenzenesulfonamide
CID 46307991
2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 10044144
4-chloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 2269846
N-[4-hydroxy-3-(4-hydroxy-3-methylphenyl)naphthalen-1-yl]benzenesulfonamide
CID 21205833
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
CID 15213459
3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
CID 30285558
4-acetyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 58565479
[1-(sulfomethyl)naphthalen-2-yl]methanesulfonic acid;hydrate
CID 166064119

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide?
The IUPAC name of N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide (CID 163288574) is N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide?
The InChIKey is NYAVIMSHBQEAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO3S/c29-27-17-15-20-9-5-7-13-23(20)25(27)18-24-22-12-6-4-8-19(22)14-16-26(24)28-32(30,31)21-10-2-1-3-11-21/h1-17,28-29H,18H2.
What are the key properties of N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide?
N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide has a molecular weight of 439.54 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-yl]benzenesulfonamide is sourced from PubChem (CID 163288574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).