N-(methylaminomethyl)naphthalene-1-sulfonamide

C12H14N2O2S — CID 173069898

IUPACN-(methylaminomethyl)naphthalene-1-sulfonamide
SMILESCNCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H14N2O2S/c1-13-9-14-17(15,16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,9H2,1H3
InChIKeyKZYZYLODRORLPA-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.29
Rot. Bonds4

About N-(methylaminomethyl)naphthalene-1-sulfonamide

N-(methylaminomethyl)naphthalene-1-sulfonamide (PubChem CID 173069898) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(methylaminomethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(methylaminomethyl)naphthalene-1-sulfonamide
PubChem CID173069898
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(methylaminomethyl)naphthalene-1-sulfonamide
SMILESCNCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H14N2O2S/c1-13-9-14-17(15,16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,9H2,1H3
InChIKeyKZYZYLODRORLPA-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(naphthalen-1-ylsulfonylamino)methyl]formamide
CID 23498789
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide
CID 114795680
N-(2-ethylsulfinylethyl)naphthalene-1-sulfonamide
CID 115684173
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide
CID 114795468
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178

Frequently Asked Questions

What is the IUPAC name of N-(methylaminomethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(methylaminomethyl)naphthalene-1-sulfonamide (CID 173069898) is N-(methylaminomethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(methylaminomethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(methylaminomethyl)naphthalene-1-sulfonamide is CNCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(methylaminomethyl)naphthalene-1-sulfonamide?
The InChIKey is KZYZYLODRORLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-13-9-14-17(15,16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13-14H,9H2,1H3.
What are the key properties of N-(methylaminomethyl)naphthalene-1-sulfonamide?
N-(methylaminomethyl)naphthalene-1-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylaminomethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 173069898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).