N-[(naphthalen-1-ylsulfonylamino)methyl]formamide

C12H12N2O3S — CID 23498789

IUPACN-[(naphthalen-1-ylsulfonylamino)methyl]formamide
SMILESO=CNCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H12N2O3S/c15-9-13-8-14-18(16,17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9,14H,8H2,(H,13,15)
InChIKeyLVFSVKLAAHEROS-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.82
Rot. Bonds5

About N-[(naphthalen-1-ylsulfonylamino)methyl]formamide

N-[(naphthalen-1-ylsulfonylamino)methyl]formamide (PubChem CID 23498789) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-[(naphthalen-1-ylsulfonylamino)methyl]formamide.

Molecular Properties

Compound NameN-[(naphthalen-1-ylsulfonylamino)methyl]formamide
PubChem CID23498789
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-[(naphthalen-1-ylsulfonylamino)methyl]formamide
SMILESO=CNCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C12H12N2O3S/c15-9-13-8-14-18(16,17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9,14H,8H2,(H,13,15)
InChIKeyLVFSVKLAAHEROS-UHFFFAOYSA-N
XLogP0.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide
CID 114795468
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-(2-cyclopropyl-2-hydroxyethyl)naphthalene-1-sulfonamide
CID 84589990
N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide
CID 114795680

Frequently Asked Questions

What is the IUPAC name of N-[(naphthalen-1-ylsulfonylamino)methyl]formamide?
The IUPAC name of N-[(naphthalen-1-ylsulfonylamino)methyl]formamide (CID 23498789) is N-[(naphthalen-1-ylsulfonylamino)methyl]formamide.
What is the SMILES notation for N-[(naphthalen-1-ylsulfonylamino)methyl]formamide?
The canonical SMILES for N-[(naphthalen-1-ylsulfonylamino)methyl]formamide is O=CNCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(naphthalen-1-ylsulfonylamino)methyl]formamide?
The InChIKey is LVFSVKLAAHEROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-9-13-8-14-18(16,17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,9,14H,8H2,(H,13,15).
What are the key properties of N-[(naphthalen-1-ylsulfonylamino)methyl]formamide?
N-[(naphthalen-1-ylsulfonylamino)methyl]formamide has a molecular weight of 264.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(naphthalen-1-ylsulfonylamino)methyl]formamide is sourced from PubChem (CID 23498789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).