N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide

C16H10F3NO2S — CID 9464601

IUPACN-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc2ccccc2c1
InChIInChI=1S/C16H10F3NO2S/c17-13-7-8-14(16(19)15(13)18)20-23(21,22)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,20H
InChIKeyBQKHXYFJZXGUAX-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.06
Rot. Bonds3

About N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide

N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide (PubChem CID 9464601) has the molecular formula C16H10F3NO2S and a molecular weight of 337.32 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide
PubChem CID9464601
Molecular FormulaC16H10F3NO2S
Molecular Weight337.32 g/mol
Exact Mass337.04
IUPAC NameN-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc2ccccc2c1
InChIInChI=1S/C16H10F3NO2S/c17-13-7-8-14(16(19)15(13)18)20-23(21,22)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,20H
InChIKeyBQKHXYFJZXGUAX-UHFFFAOYSA-N
XLogP4.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)naphthalene-2-sulfonamide
CID 22773480
N-(3-fluoro-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 150166464
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 3457821
N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
N-(2,4-dichlorophenyl)-4-naphthalen-2-ylbenzenesulfonamide
CID 156767618
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
4-cyclohexyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 7939033

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide (CID 9464601) is N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc2ccccc2c1.
What is the InChIKey of N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide?
The InChIKey is BQKHXYFJZXGUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2S/c17-13-7-8-14(16(19)15(13)18)20-23(21,22)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,20H.
What are the key properties of N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide?
N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide has a molecular weight of 337.32 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 9464601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).