N-(trifluoromethyl)naphthalene-1-sulfonamide

C11H8F3NO2S — CID 19040009

IUPACN-(trifluoromethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NC(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C11H8F3NO2S/c12-11(13,14)15-18(16,17)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,15H
InChIKeyKNSDQPOQCPZZRN-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.64
Rot. Bonds2

About N-(trifluoromethyl)naphthalene-1-sulfonamide

N-(trifluoromethyl)naphthalene-1-sulfonamide (PubChem CID 19040009) has the molecular formula C11H8F3NO2S and a molecular weight of 275.25 g/mol. Its IUPAC name is N-(trifluoromethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(trifluoromethyl)naphthalene-1-sulfonamide
PubChem CID19040009
Molecular FormulaC11H8F3NO2S
Molecular Weight275.25 g/mol
Exact Mass275.02
IUPAC NameN-(trifluoromethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NC(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C11H8F3NO2S/c12-11(13,14)15-18(16,17)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,15H
InChIKeyKNSDQPOQCPZZRN-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpentan-3-yl)naphthalene-1-sulfonamide
CID 103740938
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 115684135
N-[3-(bromomethyl)pentan-3-yl]naphthalene-1-sulfonamide
CID 114795664
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-1-sulfonamide;hydrochloride
CID 119981674
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
N-(2-bromoprop-2-enyl)naphthalene-1-sulfonamide
CID 114795468

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(trifluoromethyl)naphthalene-1-sulfonamide (CID 19040009) is N-(trifluoromethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(trifluoromethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(trifluoromethyl)naphthalene-1-sulfonamide is O=S(=O)(NC(F)(F)F)c1cccc2ccccc12.
What is the InChIKey of N-(trifluoromethyl)naphthalene-1-sulfonamide?
The InChIKey is KNSDQPOQCPZZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2S/c12-11(13,14)15-18(16,17)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,15H.
What are the key properties of N-(trifluoromethyl)naphthalene-1-sulfonamide?
N-(trifluoromethyl)naphthalene-1-sulfonamide has a molecular weight of 275.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 19040009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).