N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide

C19H14ClFN4O2S — CID 4775494

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2c(F)cccc2Cl)n1)c1ccc2ccccc2c1
InChIInChI=1S/C19H14ClFN4O2S/c20-17-6-3-7-18(21)16(17)11-25-12-22-19(23-25)24-28(26,27)15-9-8-13-4-1-2-5-14(13)10-15/h1-10,12H,11H2,(H,23,24)
InChIKeyAAFDTWHYYGSNRS-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.07
Rot. Bonds5

About N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide (PubChem CID 4775494) has the molecular formula C19H14ClFN4O2S and a molecular weight of 416.87 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide
PubChem CID4775494
Molecular FormulaC19H14ClFN4O2S
Molecular Weight416.87 g/mol
Exact Mass416.05
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2c(F)cccc2Cl)n1)c1ccc2ccccc2c1
InChIInChI=1S/C19H14ClFN4O2S/c20-17-6-3-7-18(21)16(17)11-25-12-22-19(23-25)24-28(26,27)15-9-8-13-4-1-2-5-14(13)10-15/h1-10,12H,11H2,(H,23,24)
InChIKeyAAFDTWHYYGSNRS-UHFFFAOYSA-N
XLogP4.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide
CID 22771997
4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 4770418
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022737
2,5-dichloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772197
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
CID 22205652
N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
CID 19581941
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22771690
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 19285589
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771811
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206103
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-2,5-dimethylbenzenesulfonamide
CID 22772192
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
CID 4775946

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide (CID 4775494) is N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ncn(Cc2c(F)cccc2Cl)n1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide?
The InChIKey is AAFDTWHYYGSNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2S/c20-17-6-3-7-18(21)16(17)11-25-12-22-19(23-25)24-28(26,27)15-9-8-13-4-1-2-5-14(13)10-15/h1-10,12H,11H2,(H,23,24).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide has a molecular weight of 416.87 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 4775494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).