N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H20FN3O2S — CID 113018263

IUPACN-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccccc2F)nc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H20FN3O2S/c22-19-7-3-4-8-20(19)24-21-12-10-17(14-23-21)25-28(26,27)18-11-9-15-5-1-2-6-16(15)13-18/h3-4,7-14,25H,1-2,5-6H2,(H,23,24)
InChIKeyVATCJHBLRIRAFH-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.64
Rot. Bonds5

About N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 113018263) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID113018263
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC NameN-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2ccccc2F)nc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H20FN3O2S/c22-19-7-3-4-8-20(19)24-21-12-10-17(14-23-21)25-28(26,27)18-11-9-15-5-1-2-6-16(15)13-18/h3-4,7-14,25H,1-2,5-6H2,(H,23,24)
InChIKeyVATCJHBLRIRAFH-UHFFFAOYSA-N
XLogP4.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(benzylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113011505
N-[6-(butylamino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113009531
N-[5-(cyclopentylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024520
N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113030339
N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 84598051
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide
CID 113023175
N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71801231
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 64780149
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 113018263) is N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(Nc2ccccc2F)nc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is VATCJHBLRIRAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c22-19-7-3-4-8-20(19)24-21-12-10-17(14-23-21)25-28(26,27)18-11-9-15-5-1-2-6-16(15)13-18/h3-4,7-14,25H,1-2,5-6H2,(H,23,24).
What are the key properties of N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 397.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluoroanilino)-3-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 113018263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).