1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide

C17H16N2O4S2 — CID 86922484

IUPAC1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H16N2O4S2/c1-18-24(20,21)16-8-10-17(11-9-16)25(22,23)19-15-7-6-13-4-2-3-5-14(13)12-15/h2-12,18-19H,1H3
InChIKeyOEGUDLSVNOVSQY-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.55
Rot. Bonds5

About 1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide

1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide (PubChem CID 86922484) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
PubChem CID86922484
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H16N2O4S2/c1-18-24(20,21)16-8-10-17(11-9-16)25(22,23)19-15-7-6-13-4-2-3-5-14(13)12-15/h2-12,18-19H,1H3
InChIKeyOEGUDLSVNOVSQY-UHFFFAOYSA-N
XLogP2.55
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
N-(1H-indol-5-yl)naphthalene-2-sulfonamide
CID 3718023
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
N-anthracen-2-yl-4-pentylbenzenesulfonamide
CID 3844846
4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
CID 3508166
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide?
The IUPAC name of 1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide (CID 86922484) is 1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide?
The canonical SMILES for 1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide is CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide?
The InChIKey is OEGUDLSVNOVSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-18-24(20,21)16-8-10-17(11-9-16)25(22,23)19-15-7-6-13-4-2-3-5-14(13)12-15/h2-12,18-19H,1H3.
What are the key properties of 1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide?
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide has a molecular weight of 376.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide is sourced from PubChem (CID 86922484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).