5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide

C17H14F2N2O2S — CID 69046746

IUPAC5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)NCc3ccc(F)c(F)c3)cccc12
InChIInChI=1S/C17H14F2N2O2S/c18-14-8-7-11(9-15(14)19)10-21-24(22,23)17-6-2-3-12-13(17)4-1-5-16(12)20/h1-9,21H,10,20H2
InChIKeyLVEGDPGJYPOYLF-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.18
Rot. Bonds4

About 5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide

5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide (PubChem CID 69046746) has the molecular formula C17H14F2N2O2S and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide
PubChem CID69046746
Molecular FormulaC17H14F2N2O2S
Molecular Weight348.37 g/mol
Exact Mass348.07
IUPAC Name5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide
SMILESNc1cccc2c(S(=O)(=O)NCc3ccc(F)c(F)c3)cccc12
InChIInChI=1S/C17H14F2N2O2S/c18-14-8-7-11(9-15(14)19)10-21-24(22,23)17-6-2-3-12-13(17)4-1-5-16(12)20/h1-9,21H,10,20H2
InChIKeyLVEGDPGJYPOYLF-UHFFFAOYSA-N
XLogP3.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
CID 69050845
5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
CID 69048090
5-amino-N-[(4-phenylmethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 69048106
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 61109676
N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide
CID 10149841
2-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970037
5-amino-N-[3-[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl-[3-[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl-[2-[bis[3-[bis[3-[(5-aminonaphthalen-1-yl)sulfonylamino]propyl]amino]propyl]amino]ethyl]amino]propyl]amino]propyl]naphthalene-1-sulfonamide
CID 101495653
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
2-amino-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 22932490
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide (CID 69046746) is 5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide is Nc1cccc2c(S(=O)(=O)NCc3ccc(F)c(F)c3)cccc12.
What is the InChIKey of 5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide?
The InChIKey is LVEGDPGJYPOYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S/c18-14-8-7-11(9-15(14)19)10-21-24(22,23)17-6-2-3-12-13(17)4-1-5-16(12)20/h1-9,21H,10,20H2.
What are the key properties of 5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide?
5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide has a molecular weight of 348.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3,4-difluorophenyl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 69046746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).