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

C19H18N2O4S — CID 15839021

IUPAC4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cccc12
InChIInChI=1S/C19H18N2O4S/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/h3-12,20H,1-2H3,(H,22,23)
InChIKeyKZADIIRNHFLZDB-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.40
Rot. Bonds5

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

4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid (PubChem CID 15839021) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
PubChem CID15839021
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cccc12
InChIInChI=1S/C19H18N2O4S/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/h3-12,20H,1-2H3,(H,22,23)
InChIKeyKZADIIRNHFLZDB-UHFFFAOYSA-N
XLogP3.40
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
CID 15345457
N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 54255975
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 59900326
N-[4-(1-aminoethyl)phenyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 102078919
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
5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
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
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
CID 177435164
N-(3-chloro-4-formylphenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142053492
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]benzoic acid?
The IUPAC name of 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid (CID 15839021) is 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid?
The canonical SMILES for 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cccc12.
What is the InChIKey of 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid?
The InChIKey is KZADIIRNHFLZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/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/h3-12,20H,1-2H3,(H,22,23).
What are the key properties of 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid?
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid has a molecular weight of 370.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid is sourced from PubChem (CID 15839021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).