3-N-naphthalen-1-ylbenzene-1,3-disulfonamide

C16H14N2O4S2 — CID 30285558

IUPAC3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C16H14N2O4S2/c17-23(19,20)13-7-4-8-14(11-13)24(21,22)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H,(H2,17,19,20)
InChIKeyRIFRKPLNIFKSGF-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.29
Rot. Bonds4

About 3-N-naphthalen-1-ylbenzene-1,3-disulfonamide

3-N-naphthalen-1-ylbenzene-1,3-disulfonamide (PubChem CID 30285558) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-N-naphthalen-1-ylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
PubChem CID30285558
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Name3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C16H14N2O4S2/c17-23(19,20)13-7-4-8-14(11-13)24(21,22)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H,(H2,17,19,20)
InChIKeyRIFRKPLNIFKSGF-UHFFFAOYSA-N
XLogP2.29
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-ethylphenyl)benzene-1,3-disulfonamide
CID 30286365
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
3-iodo-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
CID 177279924
3-chloro-4-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 3464007
3-N-[2-(2-chlorophenoxy)phenyl]benzene-1,3-disulfonamide
CID 25325682
benzene-1,3-disulfonamide
CID 3090044
3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 59533991
2-methyl-N-naphthalen-1-yl-3-oxo-1,2-dihydroindene-5-sulfonamide
CID 25208731
4-(2-naphthalen-1-ylhydrazinyl)benzenesulfonamide
CID 70469437
5-(aminomethyl)-N-naphthalen-1-ylfuran-2-sulfonamide
CID 106040339
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879

Frequently Asked Questions

What is the IUPAC name of 3-N-naphthalen-1-ylbenzene-1,3-disulfonamide?
The IUPAC name of 3-N-naphthalen-1-ylbenzene-1,3-disulfonamide (CID 30285558) is 3-N-naphthalen-1-ylbenzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-naphthalen-1-ylbenzene-1,3-disulfonamide?
The canonical SMILES for 3-N-naphthalen-1-ylbenzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 3-N-naphthalen-1-ylbenzene-1,3-disulfonamide?
The InChIKey is RIFRKPLNIFKSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c17-23(19,20)13-7-4-8-14(11-13)24(21,22)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H,(H2,17,19,20).
What are the key properties of 3-N-naphthalen-1-ylbenzene-1,3-disulfonamide?
3-N-naphthalen-1-ylbenzene-1,3-disulfonamide has a molecular weight of 362.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-naphthalen-1-ylbenzene-1,3-disulfonamide is sourced from PubChem (CID 30285558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).