[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid

C18H19BN2O4S — CID 15345457

IUPAC[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(B(O)O)cc3)cccc12
InChIInChI=1S/C18H19BN2O4S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)26(24,25)20-14-11-9-13(10-12-14)19(22)23/h3-12,20,22-23H,1-2H3
InChIKeyNCPSZGPOSNSMDZ-UHFFFAOYSA-N
MW370.24 g/mol
LogP1.39
Rot. Bonds5

About [4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid

[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid (PubChem CID 15345457) has the molecular formula C18H19BN2O4S and a molecular weight of 370.24 g/mol. Its IUPAC name is [4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
PubChem CID15345457
Molecular FormulaC18H19BN2O4S
Molecular Weight370.24 g/mol
Exact Mass370.12
IUPAC Name[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(B(O)O)cc3)cccc12
InChIInChI=1S/C18H19BN2O4S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)26(24,25)20-14-11-9-13(10-12-14)19(22)23/h3-12,20,22-23H,1-2H3
InChIKeyNCPSZGPOSNSMDZ-UHFFFAOYSA-N
XLogP1.39
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 102078919
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 59900326
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide
CID 59900335
N-(6-chloro-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 11792960
N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142053492
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
CID 57189636
CID 57189636
N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 4658708
5-(dimethylamino)-N-[4-(thiadiazol-4-yl)phenyl]naphthalene-1-sulfonamide
CID 3271732
N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 54255975
5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
CID 170856983

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid?
The IUPAC name of [4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid (CID 15345457) is [4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid.
What is the SMILES notation for [4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid?
The canonical SMILES for [4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(B(O)O)cc3)cccc12.
What is the InChIKey of [4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid?
The InChIKey is NCPSZGPOSNSMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BN2O4S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)26(24,25)20-14-11-9-13(10-12-14)19(22)23/h3-12,20,22-23H,1-2H3.
What are the key properties of [4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid?
[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid has a molecular weight of 370.24 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid is sourced from PubChem (CID 15345457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).