2-[bis(methylsulfamoyl)amino]naphthalene

C12H15N3O4S2 — CID 141077953

IUPAC2-[bis(methylsulfamoyl)amino]naphthalene
SMILESCNS(=O)(=O)N(c1ccc2ccccc2c1)S(=O)(=O)NC
InChIInChI=1S/C12H15N3O4S2/c1-13-20(16,17)15(21(18,19)14-2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14H,1-2H3
InChIKeyVBXNQNUSBIVLFO-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.57
Rot. Bonds5

About 2-[bis(methylsulfamoyl)amino]naphthalene

2-[bis(methylsulfamoyl)amino]naphthalene (PubChem CID 141077953) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[bis(methylsulfamoyl)amino]naphthalene.

Molecular Properties

Compound Name2-[bis(methylsulfamoyl)amino]naphthalene
PubChem CID141077953
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name2-[bis(methylsulfamoyl)amino]naphthalene
SMILESCNS(=O)(=O)N(c1ccc2ccccc2c1)S(=O)(=O)NC
InChIInChI=1S/C12H15N3O4S2/c1-13-20(16,17)15(21(18,19)14-2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14H,1-2H3
InChIKeyVBXNQNUSBIVLFO-UHFFFAOYSA-N
XLogP0.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

hexapotassium;tris(N-naphthalen-2-yl-N-sulfonatosulfamate);pentakis(naphthalen-2-yl(sulfo)sulfamic acid)
CID 173428765
[methyl(naphthalen-2-yl)amino] sulfite
CID 174392353
N-methyl-N-oxidonaphthalen-2-amine
CID 163543073
N-[2-(methylamino)ethyl]-N-naphthalen-2-ylformamide
CID 174419359
[methyl(naphthalen-2-yl)amino] hydrogen sulfite
CID 174392354
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
anthracene;ethane;methanesulfonic acid
CID 91545165
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
N-naphthalen-2-yl-3-oxobutanehydrazide
CID 123791890
N-(3,4-dimethylphenyl)-N-methylnaphthalen-2-amine
CID 163968622
2-chloro-1-naphthalen-2-yl-1-phenylhydrazine
CID 90345926

Frequently Asked Questions

What is the IUPAC name of 2-[bis(methylsulfamoyl)amino]naphthalene?
The IUPAC name of 2-[bis(methylsulfamoyl)amino]naphthalene (CID 141077953) is 2-[bis(methylsulfamoyl)amino]naphthalene.
What is the SMILES notation for 2-[bis(methylsulfamoyl)amino]naphthalene?
The canonical SMILES for 2-[bis(methylsulfamoyl)amino]naphthalene is CNS(=O)(=O)N(c1ccc2ccccc2c1)S(=O)(=O)NC.
What is the InChIKey of 2-[bis(methylsulfamoyl)amino]naphthalene?
The InChIKey is VBXNQNUSBIVLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-13-20(16,17)15(21(18,19)14-2)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14H,1-2H3.
What are the key properties of 2-[bis(methylsulfamoyl)amino]naphthalene?
2-[bis(methylsulfamoyl)amino]naphthalene has a molecular weight of 329.40 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(methylsulfamoyl)amino]naphthalene is sourced from PubChem (CID 141077953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).