N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide

C21H15N3O3S — CID 59788647

IUPACN-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ccncc12
InChIInChI=1S/C21H15N3O3S/c25-21(20-18-14-22-12-10-15(18)11-13-23-20)17-8-4-5-9-19(17)24-28(26,27)16-6-2-1-3-7-16/h1-14,24H
InChIKeyRYVDPGKVRNJBSK-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.66
Rot. Bonds5

About N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide

N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 59788647) has the molecular formula C21H15N3O3S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID59788647
Molecular FormulaC21H15N3O3S
Molecular Weight389.44 g/mol
Exact Mass389.08
IUPAC NameN-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ccncc12
InChIInChI=1S/C21H15N3O3S/c25-21(20-18-14-22-12-10-15(18)11-13-23-20)17-8-4-5-9-19(17)24-28(26,27)16-6-2-1-3-7-16/h1-14,24H
InChIKeyRYVDPGKVRNJBSK-UHFFFAOYSA-N
XLogP3.66
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide (CID 59788647) is N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ccncc12.
What is the InChIKey of N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is RYVDPGKVRNJBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S/c25-21(20-18-14-22-12-10-15(18)11-13-23-20)17-8-4-5-9-19(17)24-28(26,27)16-6-2-1-3-7-16/h1-14,24H.
What are the key properties of N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide?
N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 389.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 59788647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).